Chemical structure of CAS 94594-91-9

1-[(3aS,6R,7aR)-Tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-2-propen-1-one

In Stock•Starting at $15 for 100 mg•Purity ≥ 97%

CAS No.	94594-91-9
MDL No.	N/A
MF	C₁₃H₁₉NO₃S
MW	269.36
InChI Key	QYWKUFBZHFLMBU-GIPNMCIBSA-N

Pricing & Availability

Pack Size	Purity	Price	Availability	Action
100 mg	97%	$15	In Stock
250 mg	97%	$18	In Stock
1 g	97%	$59	In Stock
5 g	97%	$273	In Stock
10 g	97%	$436	In Stock
Custom synthesis and bulk supply options are available upon request.

Product Information

CAS No.	94594-91-9
Product Name	1-[(3aS,6R,7aR)-Tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-2-propen-1-one

Heavy Atom Count	18	Rotatable Bond Count	1
Atom Stereo Count	3	Bond Stereo Count	0
HBA	3	HBD	0
TPSA	54.450 Å²	Charge	0
Exact Mass	269.10856	Complexity	536.44
pKa	5.875	XLogP	1.539