![1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane structure](/static/products/693/69392-33-2.png)
1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane
TL;DR: 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane (CAS 69392-33-2) is a chemical compound with molecular formula C18H21NO5S and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-acetyloxy-1-benzamido-6-thiabicyclo[3.2.1]octan-4-yl) acetate
Also Known As: 1-benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane, (8-acetyloxy-5-benzamido-7-thiabicyclo[3.2.1]octan-2-yl) acetate, 1-(benzoylamino)-6-thiabicyclo[3.2.1]octane-4,8-diyl diacetate
| Molecular Formula | C18H21NO5S |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 1.9278 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.11404 |
| Heavy Atoms | 25 |
| Complexity | 679.30383 |
Chemical Identifiers
| CAS Number | 69392-33-2 |
|---|---|
| SMILES | CC(=O)OC1CCC2(CSC1C2OC(=O)C)NC(=O)C3=CC=CC=C3 |
Product Overview
1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane (CAS 69392-33-2), with molecular formula C18H21NO5S and molecular weight 363.11 g/mol. IUPAC: (8-acetyloxy-1-benzamido-6-thiabicyclo[3.2.1]octan-4-yl) acetate.
Chemical Property Profile of 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane
Property Insights of 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane
The XLogP value of 1.9278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane. Following Lipinski's Rule of Five, 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane has 1 hydrogen bond donor(s) and 6 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 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane?
The CAS number of 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane is 69392-33-2.
What is the molecular formula of 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane?
The molecular formula of 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane is C18H21NO5S.
What is the molecular weight of 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane?
The molecular weight of 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane is 363.11 g/mol.
Where can I buy 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane?
You can request a quote for 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzamido-4,8-diacetoxy-6-thiabicyclo[3.2.1]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.