4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid
TL;DR: 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid (CAS 1031807-35-8) is a chemical compound with molecular formula C14H17N3O4 and molecular weight 291.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid
Also Known As: VU0512762-1, 4-(2-cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid, 3-[(2-CYANOPHENYL)CARBAMOYL]-2-[(3-HYDROXYPROPYL)AMINO]PROPANOIC ACID, F3177-0032, 4-((2-cyanophenyl)amino)-2-((3-hydroxypropyl)amino)-4-oxobutanoic acid
| Molecular Formula | C14H17N3O4 |
|---|---|
| Molecular Weight | 291.12 g/mol |
| LogP | 0.31208 |
| Topological Polar Surface Area | 122.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 291.12192 |
| Heavy Atoms | 21 |
| Complexity | 539.2658 |
Chemical Identifiers
| CAS Number | 1031807-35-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)CC(C(=O)O)NCCCO |
Product Overview
4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid (CAS 1031807-35-8), with molecular formula C14H17N3O4 and molecular weight 291.12 g/mol. IUPAC: 4-(2-cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid
Property Insights of 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid
The XLogP value of 0.31208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid. The TPSA of 122.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid has 4 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 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid?
The CAS number of 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid is 1031807-35-8.
What is the molecular formula of 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid?
The molecular formula of 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid is C14H17N3O4.
What is the molecular weight of 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid?
The molecular weight of 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid is 291.12 g/mol.
Where can I buy 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid?
You can request a quote for 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Cyanoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.