![6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one structure](/static/products/899/899377-80-1.png)
6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
TL;DR: 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one (CAS 899377-80-1) is a chemical compound with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
Also Known As: 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one, 6-(((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, 6-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-sulfonyl}-2,3-dihydro-1,3-benzoxazol-2-one
| Molecular Formula | C17H22N2O4S |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 2.7104 |
| Topological Polar Surface Area | 83.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.13004 |
| Heavy Atoms | 24 |
| Complexity | 971.88214 |
Chemical Identifiers
| CAS Number | 899377-80-1 |
|---|---|
| SMILES | CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)C)C |
Product Overview
6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one (CAS 899377-80-1), with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol. IUPAC: 6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
Property Insights of 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
The XLogP value of 2.7104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one. The TPSA of 83.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one. Following Lipinski's Rule of Five, 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The CAS number of 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is 899377-80-1.
What is the molecular formula of 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The molecular formula of 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is C17H22N2O4S.
What is the molecular weight of 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The molecular weight of 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is 350.13 g/mol.
Where can I buy 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
You can request a quote for 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]-3H-1,3-benzoxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.