AB00686399-01
TL;DR: AB00686399-01 (CAS 957047-74-4) is a chemical compound with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid
Also Known As: AB00686399-01, F1683-2872, (2E)-3-({[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}carbamoyl)prop-2-enoic acid, (E)-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid, (E)-4-(((3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methyl)amino)-4-oxobut-2-enoic acid
| Molecular Formula | C21H19N3O4 |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 2.8049 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.13754 |
| Heavy Atoms | 28 |
| Complexity | 992.25 |
Chemical Identifiers
| CAS Number | 957047-74-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C=C2CNC(=O)/C=C/C(=O)O)C3=CC=CC=C3 |
Product Overview
AB00686399-01 (CAS 957047-74-4), with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol. IUPAC: (E)-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of AB00686399-01
Property Insights of AB00686399-01
The XLogP value of 2.8049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686399-01. The TPSA of 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686399-01. Following Lipinski's Rule of Five, AB00686399-01 has 2 hydrogen bond donor(s) and 4 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 AB00686399-01?
The CAS number of AB00686399-01 is 957047-74-4.
What is the molecular formula of AB00686399-01?
The molecular formula of AB00686399-01 is C21H19N3O4.
What is the molecular weight of AB00686399-01?
The molecular weight of AB00686399-01 is 377.14 g/mol.
Where can I buy AB00686399-01?
You can request a quote for AB00686399-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686399-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686399-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.