AB00686398-01
TL;DR: AB00686398-01 (CAS 956046-56-3) is a chemical compound with molecular formula C20H16ClN3O3 and molecular weight 381.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid
Also Known As: AB00686398-01, F1683-2870, (2E)-3-({[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}carbamoyl)prop-2-enoic acid, (E)-4-(((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methyl)amino)-4-oxobut-2-enoic acid, (E)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid
| Molecular Formula | C20H16ClN3O3 |
|---|---|
| Molecular Weight | 381.09 g/mol |
| LogP | 3.4497 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.088 |
| Heavy Atoms | 27 |
| Complexity | 979.4664 |
Chemical Identifiers
| CAS Number | 956046-56-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CNC(=O)/C=C/C(=O)O |
Product Overview
AB00686398-01 (CAS 956046-56-3), with molecular formula C20H16ClN3O3 and molecular weight 381.09 g/mol. IUPAC: (E)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of AB00686398-01
Property Insights of AB00686398-01
The XLogP value of 3.4497 indicates that AB00686398-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686398-01. Following Lipinski's Rule of Five, AB00686398-01 has 2 hydrogen bond donor(s) and 3 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 AB00686398-01?
The CAS number of AB00686398-01 is 956046-56-3.
What is the molecular formula of AB00686398-01?
The molecular formula of AB00686398-01 is C20H16ClN3O3.
What is the molecular weight of AB00686398-01?
The molecular weight of AB00686398-01 is 381.09 g/mol.
Where can I buy AB00686398-01?
You can request a quote for AB00686398-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686398-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686398-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.