RefChem:315971
TL;DR: RefChem:315971 (CAS 40627-96-1) is a chemical compound with molecular formula C14H19Cl2NO3S and molecular weight 351.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ylethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride
Also Known As: Benzyl L-tryptophanate monohydrochloride, 2-(4-Morpholinyl)ethyl ((4-chlorophenyl)thio)acetate hydrochloride, Acetic acid, ((4-chlorophenyl)thio)-, 2-(4-morpholinyl)ethyl ester, hydrochloride, 2-(morpholin-4-yl)ethyl[(4-chlorophenyl)sulfanyl]acetate hydrochloride(1:1), 2-morpholin-4-ylethyl 2-(4-chlorophenyl)sulfanylacetate hydrochloride
| Molecular Formula | C14H19Cl2NO3S |
|---|---|
| Molecular Weight | 351.05 g/mol |
| LogP | 2.7293 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.04626 |
| Heavy Atoms | 21 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 40627-96-1 |
|---|---|
| SMILES | C1COCCN1CCOC(=O)CSC2=CC=C(C=C2)Cl.Cl |
| InChIKey | QTWMBXVLFPLQDM-UHFFFAOYSA-N |
Product Overview
RefChem:315971 (CAS 40627-96-1), with molecular formula C14H19Cl2NO3S and molecular weight 351.05 g/mol. IUPAC: 2-morpholin-4-ylethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride.
Chemical Property Profile of RefChem:315971
Property Insights of RefChem:315971
The XLogP value of 2.7293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315971. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:315971. Following Lipinski's Rule of Five, RefChem:315971 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 RefChem:315971?
The CAS number of RefChem:315971 is 40627-96-1.
What is the molecular formula of RefChem:315971?
The molecular formula of RefChem:315971 is C14H19Cl2NO3S.
What is the molecular weight of RefChem:315971?
The molecular weight of RefChem:315971 is 351.05 g/mol.
Where can I buy RefChem:315971?
You can request a quote for RefChem:315971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315971?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.