ChemDiv1_003359
TL;DR: ChemDiv1_003359 (CAS 5964-02-3) is a chemical compound with molecular formula C21H17ClN2O6S and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate
Also Known As: ChemDiv1_003359, AB00101663-01, methyl (4-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate, methyl 2-[4-[(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate, Methyl (4-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
| Molecular Formula | C21H17ClN2O6S |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 2.7317 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.0496 |
| Heavy Atoms | 31 |
| Complexity | 1083.7776 |
Chemical Identifiers
| CAS Number | 5964-02-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)OCC(=O)OC |
Product Overview
ChemDiv1_003359 (CAS 5964-02-3), with molecular formula C21H17ClN2O6S and molecular weight 460.05 g/mol. IUPAC: methyl 2-[4-[(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate.
Chemical Property Profile of ChemDiv1_003359
Property Insights of ChemDiv1_003359
The XLogP value of 2.7317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_003359. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003359. Following Lipinski's Rule of Five, ChemDiv1_003359 has 1 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 ChemDiv1_003359?
The CAS number of ChemDiv1_003359 is 5964-02-3.
What is the molecular formula of ChemDiv1_003359?
The molecular formula of ChemDiv1_003359 is C21H17ClN2O6S.
What is the molecular weight of ChemDiv1_003359?
The molecular weight of ChemDiv1_003359 is 460.05 g/mol.
Where can I buy ChemDiv1_003359?
You can request a quote for ChemDiv1_003359 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003359?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003359 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.