(3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate
TL;DR: (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate (CAS 328067-33-0) is a chemical compound with molecular formula C19H19NO3S and molecular weight 341.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4S)-4-benzamidothiolan-3-yl] 2-phenylacetate
Also Known As: [(3S,4S)-4-benzamidothiolan-3-yl] 2-phenylacetate|(3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate
| Molecular Formula | C19H19NO3S |
|---|---|
| Molecular Weight | 341.11 g/mol |
| LogP | 2.6863 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.10855 |
| Heavy Atoms | 24 |
| Complexity | 690.27277 |
Chemical Identifiers
| CAS Number | 328067-33-0 |
|---|---|
| SMILES | C1[C@H]([C@@H](CS1)OC(=O)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 |
Product Overview
(3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate (CAS 328067-33-0), with molecular formula C19H19NO3S and molecular weight 341.11 g/mol. IUPAC: [(3S,4S)-4-benzamidothiolan-3-yl] 2-phenylacetate.
Chemical Property Profile of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate
Property Insights of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate
The XLogP value of 2.6863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate. With a topological polar surface area (TPSA) of 55.4 Ų, (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate 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 (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate?
The CAS number of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate is 328067-33-0.
What is the molecular formula of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate?
The molecular formula of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate is C19H19NO3S.
What is the molecular weight of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate?
The molecular weight of (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate is 341.11 g/mol.
Where can I buy (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate?
You can request a quote for (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate 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 2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for (3S,4S)-4-benzamidotetrahydrothiophen-3-yl 2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.