2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester
TL;DR: 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester (CAS 311792-01-5) is a chemical compound with molecular formula C19H18ClNO4S and molecular weight 391.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-chlorobenzoate
Also Known As: BAS 00607730, [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-chlorobenzoate, 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester, 2-methoxy-5-(4-morpholinylcarbothioyl)phenyl 2-chlorobenzoate, 2-methoxy-5-(morpholin-4-ylcarbonothioyl)phenyl 2-chlorobenzoate
| Molecular Formula | C19H18ClNO4S |
|---|---|
| Molecular Weight | 391.06 g/mol |
| LogP | 3.5755 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.0645 |
| Heavy Atoms | 26 |
| Complexity | 820.93646 |
Chemical Identifiers
| CAS Number | 311792-01-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=CC=CC=C3Cl |
Product Overview
2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester (CAS 311792-01-5), with molecular formula C19H18ClNO4S and molecular weight 391.06 g/mol. IUPAC: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] 2-chlorobenzoate.
Chemical Property Profile of 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester
Property Insights of 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester
The XLogP value of 3.5755 indicates that 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester has 0 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 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester?
The CAS number of 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester is 311792-01-5.
What is the molecular formula of 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester?
The molecular formula of 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester is C19H18ClNO4S.
What is the molecular weight of 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester?
The molecular weight of 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester is 391.06 g/mol.
Where can I buy 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester?
You can request a quote for 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-benzoic acid 2-methoxy-5-(morpholine-4-carbothioyl)-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.