AH-487/41663772
TL;DR: AH-487/41663772 (CAS 692276-07-6) 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.
4-[[2-chloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid
Also Known As: AH-487/41663772, 4-({2-chloro-4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid, 4-[[2-Chloro-6-ethoxy-4-[(tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenoxy]methyl]benzoic acid, 4-[[2-chloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid, Benzoic acid, 4-[[2-chloro-6-ethoxy-4-[(tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenoxy]methyl]-
| Molecular Formula | C21H17ClN2O6S |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 2.9302 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.0496 |
| Heavy Atoms | 31 |
| Complexity | 1075.794 |
Chemical Identifiers
| CAS Number | 692276-07-6 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Cl)OCC3=CC=C(C=C3)C(=O)O |
Product Overview
AH-487/41663772 (CAS 692276-07-6), with molecular formula C21H17ClN2O6S and molecular weight 460.05 g/mol. IUPAC: 4-[[2-chloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of AH-487/41663772
Property Insights of AH-487/41663772
The XLogP value of 2.9302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AH-487/41663772. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/41663772. Following Lipinski's Rule of Five, AH-487/41663772 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-487/41663772?
The CAS number of AH-487/41663772 is 692276-07-6.
What is the molecular formula of AH-487/41663772?
The molecular formula of AH-487/41663772 is C21H17ClN2O6S.
What is the molecular weight of AH-487/41663772?
The molecular weight of AH-487/41663772 is 460.05 g/mol.
Where can I buy AH-487/41663772?
You can request a quote for AH-487/41663772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/41663772?
Yes, KEHONG BIO provides custom synthesis services for AH-487/41663772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.