Ethyl (3R)-thiomorpholine-3-carboxylate
TL;DR: Ethyl (3R)-thiomorpholine-3-carboxylate (CAS 58729-31-0) is a chemical compound with molecular formula C7H13NO2S and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3R)-thiomorpholine-3-carboxylate
Also Known As: Ethyl (3R)-thiomorpholine-3-carboxylate, ethyl thiomorpholine-3-carboxylate
| Molecular Formula | C7H13NO2S |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 0.2545 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.0667 |
| Heavy Atoms | 11 |
| Complexity | 134.40227 |
Chemical Identifiers
| CAS Number | 58729-31-0 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1CSCCN1 |
Product Overview
Ethyl (3R)-thiomorpholine-3-carboxylate (CAS 58729-31-0), with molecular formula C7H13NO2S and molecular weight 175.07 g/mol. IUPAC: ethyl (3R)-thiomorpholine-3-carboxylate.
Chemical Property Profile of Ethyl (3R)-thiomorpholine-3-carboxylate
Property Insights of Ethyl (3R)-thiomorpholine-3-carboxylate
The XLogP value of 0.2545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3R)-thiomorpholine-3-carboxylate. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl (3R)-thiomorpholine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (3R)-thiomorpholine-3-carboxylate 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 Ethyl (3R)-thiomorpholine-3-carboxylate?
The CAS number of Ethyl (3R)-thiomorpholine-3-carboxylate is 58729-31-0.
What is the molecular formula of Ethyl (3R)-thiomorpholine-3-carboxylate?
The molecular formula of Ethyl (3R)-thiomorpholine-3-carboxylate is C7H13NO2S.
What is the molecular weight of Ethyl (3R)-thiomorpholine-3-carboxylate?
The molecular weight of Ethyl (3R)-thiomorpholine-3-carboxylate is 175.07 g/mol.
Where can I buy Ethyl (3R)-thiomorpholine-3-carboxylate?
You can request a quote for Ethyl (3R)-thiomorpholine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3R)-thiomorpholine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3R)-thiomorpholine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.