AB00117412-01
TL;DR: AB00117412-01 (CAS 432004-52-9) is a chemical compound with molecular formula C19H15ClN2O6 and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
Also Known As: AB00117412-01, AB00117412-04, AH-487/41183731, (E)-3-((2-chloro-4-((2,5-dioxoimidazolidin-4-ylidene)methyl)-6-methoxyphenoxy)methyl)benzoic acid, 3-({2-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid
| Molecular Formula | C19H15ClN2O6 |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 2.8061 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.06186 |
| Heavy Atoms | 28 |
| Complexity | 1001.9135 |
Chemical Identifiers
| CAS Number | 432004-52-9 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)N2)Cl)OCC3=CC(=CC=C3)C(=O)O |
Product Overview
AB00117412-01 (CAS 432004-52-9), with molecular formula C19H15ClN2O6 and molecular weight 402.06 g/mol. IUPAC: 3-[[2-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of AB00117412-01
Property Insights of AB00117412-01
The XLogP value of 2.8061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00117412-01. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117412-01. Following Lipinski's Rule of Five, AB00117412-01 has 3 hydrogen bond donor(s) and 5 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 AB00117412-01?
The CAS number of AB00117412-01 is 432004-52-9.
What is the molecular formula of AB00117412-01?
The molecular formula of AB00117412-01 is C19H15ClN2O6.
What is the molecular weight of AB00117412-01?
The molecular weight of AB00117412-01 is 402.06 g/mol.
Where can I buy AB00117412-01?
You can request a quote for AB00117412-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117412-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117412-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.