4'-Butylmaleanilic acid
TL;DR: 4'-Butylmaleanilic acid (CAS 6953-82-8) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-(4-butylanilino)-4-oxobut-2-enoic acid
Also Known As: 4'-butylmaleanilic acid, (Z)-4-(4-butylanilino)-4-oxobut-2-enoic acid, 4-(4-butylanilino)-4-oxo-2-butenoic acid, (2Z)-3-[N-(4-butylphenyl)carbamoyl]prop-2-enoic acid, J1.769.636J
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.6085 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 434.85727 |
Chemical Identifiers
| CAS Number | 6953-82-8 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=O)/C=C\C(=O)O |
Product Overview
4'-Butylmaleanilic acid (CAS 6953-82-8), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: (Z)-4-(4-butylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4'-Butylmaleanilic acid
Property Insights of 4'-Butylmaleanilic acid
The XLogP value of 2.6085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Butylmaleanilic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Butylmaleanilic acid. Following Lipinski's Rule of Five, 4'-Butylmaleanilic acid has 2 hydrogen bond donor(s) and 2 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'-Butylmaleanilic acid?
The CAS number of 4'-Butylmaleanilic acid is 6953-82-8.
What is the molecular formula of 4'-Butylmaleanilic acid?
The molecular formula of 4'-Butylmaleanilic acid is C14H17NO3.
What is the molecular weight of 4'-Butylmaleanilic acid?
The molecular weight of 4'-Butylmaleanilic acid is 247.12 g/mol.
Where can I buy 4'-Butylmaleanilic acid?
You can request a quote for 4'-Butylmaleanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Butylmaleanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 4'-Butylmaleanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.