ChemDiv3_004760
TL;DR: ChemDiv3_004760 (CAS 501347-80-4) is a chemical compound with molecular formula C20H18N2O6S and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
Also Known As: ChemDiv3_004760, IDI1_022670, BRD-K06960376-001-01-8, 2-[4-[(Z)-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid, (4-{[2-[(4-hydroxyphenyl)(methyl)amino]-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid
| Molecular Formula | C20H18N2O6S |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 2.9709 |
| Topological Polar Surface Area | 108.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.08856 |
| Heavy Atoms | 29 |
| Complexity | 1000.53107 |
Chemical Identifiers
| CAS Number | 501347-80-4 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)O)C2=NC(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)OC)/S2 |
Product Overview
ChemDiv3_004760 (CAS 501347-80-4), with molecular formula C20H18N2O6S and molecular weight 414.09 g/mol. IUPAC: 2-[4-[(Z)-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid.
Chemical Property Profile of ChemDiv3_004760
Property Insights of ChemDiv3_004760
The XLogP value of 2.9709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004760. The TPSA of 108.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004760. Following Lipinski's Rule of Five, ChemDiv3_004760 has 2 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 ChemDiv3_004760?
The CAS number of ChemDiv3_004760 is 501347-80-4.
What is the molecular formula of ChemDiv3_004760?
The molecular formula of ChemDiv3_004760 is C20H18N2O6S.
What is the molecular weight of ChemDiv3_004760?
The molecular weight of ChemDiv3_004760 is 414.09 g/mol.
Where can I buy ChemDiv3_004760?
You can request a quote for ChemDiv3_004760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004760?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.