3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester
TL;DR: 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester (CAS 309953-70-6) is a chemical compound with molecular formula C21H23NO6S and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate
Also Known As: BAS 00395671, BIM-0000595.P001, 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester, [4-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate, 4-(4-morpholinylcarbothioyl)phenyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C21H23NO6S |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 2.9393 |
| Topological Polar Surface Area | 66.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.1246 |
| Heavy Atoms | 29 |
| Complexity | 852.2352 |
Chemical Identifiers
| CAS Number | 309953-70-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C(=S)N3CCOCC3 |
Product Overview
3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester (CAS 309953-70-6), with molecular formula C21H23NO6S and molecular weight 417.12 g/mol. IUPAC: [4-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester
Property Insights of 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester
The XLogP value of 2.9393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester. The TPSA of 66.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester. Following Lipinski's Rule of Five, 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester has 0 hydrogen bond donor(s) and 7 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 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester?
The CAS number of 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester is 309953-70-6.
What is the molecular formula of 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester?
The molecular formula of 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester is C21H23NO6S.
What is the molecular weight of 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester?
The molecular weight of 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester is 417.12 g/mol.
Where can I buy 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester?
You can request a quote for 3,4,5-Trimethoxy-benzoic acid 4-(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 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxy-benzoic acid 4-(morpholine-4-carbothioyl)-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.