AB00097988-01
TL;DR: AB00097988-01 (CAS 346643-16-1) is a chemical compound with molecular formula C20H18N2O5S and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-phenyl-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione
Also Known As: AB00097988-01, (5Z)-1-phenyl-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione, (5Z)-1-phenyl-2-sulfanyl-5-(2,3,4-trimethoxybenzylidene)pyrimidine-4,6(1H,5H)-dione, (Z)-1-phenyl-2-thioxo-5-(2,3,4-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C20H18N2O5S |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 2.5437 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.09363 |
| Heavy Atoms | 28 |
| Complexity | 972.0614 |
Chemical Identifiers
| CAS Number | 346643-16-1 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)OC)OC |
Product Overview
AB00097988-01 (CAS 346643-16-1), with molecular formula C20H18N2O5S and molecular weight 398.09 g/mol. IUPAC: (5Z)-1-phenyl-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00097988-01
Property Insights of AB00097988-01
The XLogP value of 2.5437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00097988-01. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00097988-01. Following Lipinski's Rule of Five, AB00097988-01 has 1 hydrogen bond donor(s) and 6 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 AB00097988-01?
The CAS number of AB00097988-01 is 346643-16-1.
What is the molecular formula of AB00097988-01?
The molecular formula of AB00097988-01 is C20H18N2O5S.
What is the molecular weight of AB00097988-01?
The molecular weight of AB00097988-01 is 398.09 g/mol.
Where can I buy AB00097988-01?
You can request a quote for AB00097988-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097988-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097988-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.