(3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate
TL;DR: (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate (CAS 306325-92-8) is a chemical compound with molecular formula C12H15NO4S2 and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4S)-4-benzamidothiolan-3-yl] methanesulfonate
Also Known As: [(3S,4S)-4-benzamidothiolan-3-yl] methanesulfonate|(3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate
| Molecular Formula | C12H15NO4S2 |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 0.8766 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.04425 |
| Heavy Atoms | 19 |
| Complexity | 544.1076 |
Chemical Identifiers
| CAS Number | 306325-92-8 |
|---|---|
| SMILES | CS(=O)(=O)O[C@@H]1CSC[C@H]1NC(=O)C2=CC=CC=C2 |
Product Overview
(3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate (CAS 306325-92-8), with molecular formula C12H15NO4S2 and molecular weight 301.04 g/mol. IUPAC: [(3S,4S)-4-benzamidothiolan-3-yl] methanesulfonate.
Chemical Property Profile of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate
Property Insights of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate
The XLogP value of 0.8766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate. Following Lipinski's Rule of Five, (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate has 1 hydrogen bond donor(s) and 5 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 (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate?
The CAS number of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate is 306325-92-8.
What is the molecular formula of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate?
The molecular formula of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate is C12H15NO4S2.
What is the molecular weight of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate?
The molecular weight of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate is 301.04 g/mol.
Where can I buy (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate?
You can request a quote for (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (3S,4S)-4-benzamidotetrahydrothiophen-3-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.