(3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate
TL;DR: (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate (CAS 30461-39-3) is a chemical compound with molecular formula C13H15NO3S and molecular weight 265.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4S)-4-benzamidothiolan-3-yl] acetate
Also Known As: [(3S,4S)-4-benzamidothiolan-3-yl] acetate|(3S,4S)-4-benzamidotetrahydrothiophen-3-yl acetate|(3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate|(3S,4S)-4-(BENZOYLAMINO)TETRAHYDRO-3-THIOPHENYL ACETATE|(3S,4S)-4-[(phenylcarbonyl)amino]tetrahydrothiophen-3-yl acetate
| Molecular Formula | C13H15NO3S |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 1.4635 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.07727 |
| Heavy Atoms | 18 |
| Complexity | 435.1223 |
Chemical Identifiers
| CAS Number | 30461-39-3 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CSC[C@H]1NC(=O)C2=CC=CC=C2 |
Product Overview
(3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate (CAS 30461-39-3), with molecular formula C13H15NO3S and molecular weight 265.08 g/mol. IUPAC: [(3S,4S)-4-benzamidothiolan-3-yl] acetate.
Chemical Property Profile of (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate
Property Insights of (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate
The XLogP value of 1.4635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate. With a topological polar surface area (TPSA) of 55.4 Ų, (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate 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-(phenylcarbonylamino)thiolan-3-yl acetate?
The CAS number of (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate is 30461-39-3.
What is the molecular formula of (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate?
The molecular formula of (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate is C13H15NO3S.
What is the molecular weight of (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate?
The molecular weight of (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate is 265.08 g/mol.
Where can I buy (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate?
You can request a quote for (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate 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-(phenylcarbonylamino)thiolan-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (3S,4S)-4-(phenylcarbonylamino)thiolan-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.