(3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate
TL;DR: (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate (CAS 30461-35-9) is a chemical compound with molecular formula C9H15NO4S and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4S)-4-(ethoxycarbonylamino)thiolan-3-yl] acetate
Also Known As: [(3R,4S)-4-(ethoxycarbonylamino)thiolan-3-yl] acetate|(3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate
| Molecular Formula | C9H15NO4S |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 0.7796 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.07217 |
| Heavy Atoms | 15 |
| Complexity | 246.26685 |
Chemical Identifiers
| CAS Number | 30461-35-9 |
|---|---|
| SMILES | CCOC(=O)N[C@@H]1CSC[C@@H]1OC(=O)C |
Product Overview
(3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate (CAS 30461-35-9), with molecular formula C9H15NO4S and molecular weight 233.07 g/mol. IUPAC: [(3R,4S)-4-(ethoxycarbonylamino)thiolan-3-yl] acetate.
Chemical Property Profile of (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate
Property Insights of (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate
The XLogP value of 0.7796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate. Following Lipinski's Rule of Five, (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate 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 (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate?
The CAS number of (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate is 30461-35-9.
What is the molecular formula of (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate?
The molecular formula of (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate is C9H15NO4S.
What is the molecular weight of (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate?
The molecular weight of (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate is 233.07 g/mol.
Where can I buy (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate?
You can request a quote for (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-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 (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (3R,4S)-4-((ethoxycarbonyl)amino)tetrahydrothiophen-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.