AH-487/14753062
TL;DR: AH-487/14753062 (CAS 340306-39-0) is a chemical compound with molecular formula C28H27N3O5S and molecular weight 517.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: AH-487/14753062, ethyl 4-[3-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate, (E)-ethyl 4-(3-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, ethyl 4-(3-{(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, ethyl 4-{3-[(1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
| Molecular Formula | C28H27N3O5S |
|---|---|
| Molecular Weight | 517.17 g/mol |
| LogP | 4.50084 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.1671 |
| Heavy Atoms | 37 |
| Complexity | 1404.8193 |
Chemical Identifiers
| CAS Number | 340306-39-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OCC)C)/C(=O)NC2=S |
Product Overview
AH-487/14753062 (CAS 340306-39-0), with molecular formula C28H27N3O5S and molecular weight 517.17 g/mol. IUPAC: ethyl 4-[3-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of AH-487/14753062
Property Insights of AH-487/14753062
The XLogP value of 4.50084 indicates that AH-487/14753062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/14753062. Following Lipinski's Rule of Five, AH-487/14753062 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AH-487/14753062?
The CAS number of AH-487/14753062 is 340306-39-0.
What is the molecular formula of AH-487/14753062?
The molecular formula of AH-487/14753062 is C28H27N3O5S.
What is the molecular weight of AH-487/14753062?
The molecular weight of AH-487/14753062 is 517.17 g/mol.
Where can I buy AH-487/14753062?
You can request a quote for AH-487/14753062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/14753062?
Yes, KEHONG BIO provides custom synthesis services for AH-487/14753062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.