AH-487/40791466
TL;DR: AH-487/40791466 (CAS 347397-34-6) is a chemical compound with molecular formula C20H16N2O6S and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-methoxyphenoxy]methyl]benzoic acid
Also Known As: AH-487/40791466, 3-((4-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-3-methoxyphenoxy)methyl)benzoic acid, 3-({4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-3-methoxyphenoxy}methyl)benzoic acid, 3-({4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-3-methoxyphenoxy}methyl)benzoic acid, 3-({4-[(E)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]-3-methoxyphenoxy}methyl)benzoic acid
| Molecular Formula | C20H16N2O6S |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 1.8867 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.0729 |
| Heavy Atoms | 29 |
| Complexity | 1025.017 |
Chemical Identifiers
| CAS Number | 347397-34-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)OCC2=CC(=CC=C2)C(=O)O)C=C3C(=O)NC(=S)NC3=O |
Product Overview
AH-487/40791466 (CAS 347397-34-6), with molecular formula C20H16N2O6S and molecular weight 412.07 g/mol. IUPAC: 3-[[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of AH-487/40791466
Property Insights of AH-487/40791466
The XLogP value of 1.8867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AH-487/40791466. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/40791466. Following Lipinski's Rule of Five, AH-487/40791466 has 3 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 AH-487/40791466?
The CAS number of AH-487/40791466 is 347397-34-6.
What is the molecular formula of AH-487/40791466?
The molecular formula of AH-487/40791466 is C20H16N2O6S.
What is the molecular weight of AH-487/40791466?
The molecular weight of AH-487/40791466 is 412.07 g/mol.
Where can I buy AH-487/40791466?
You can request a quote for AH-487/40791466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/40791466?
Yes, KEHONG BIO provides custom synthesis services for AH-487/40791466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.