Methyl 4-(4-anilinoanilino)-4-oxobutanoate
TL;DR: Methyl 4-(4-anilinoanilino)-4-oxobutanoate (CAS 315249-34-4) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-anilinoanilino)-4-oxobutanoate
Also Known As: methyl 4-(4-anilinoanilino)-4-oxobutanoate, methyl 4-[(4-anilinophenyl)amino]-4-oxobutanoate, AN-329/11627199, methyl 3-{[4-(phenylamino)phenyl]carbamoyl}propanoate, methyl 3-{N-[4-(phenylamino)phenyl]carbamoyl}propanoate
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 315249-34-4 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2 |
| InChIKey | BYGUTMZTFJFNNR-UHFFFAOYSA-N |
Product Overview
Methyl 4-(4-anilinoanilino)-4-oxobutanoate (CAS 315249-34-4), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: methyl 4-(4-anilinoanilino)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-(4-anilinoanilino)-4-oxobutanoate
Property Insights of Methyl 4-(4-anilinoanilino)-4-oxobutanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-anilinoanilino)-4-oxobutanoate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-anilinoanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-(4-anilinoanilino)-4-oxobutanoate 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 Methyl 4-(4-anilinoanilino)-4-oxobutanoate?
The CAS number of Methyl 4-(4-anilinoanilino)-4-oxobutanoate is 315249-34-4.
What is the molecular formula of Methyl 4-(4-anilinoanilino)-4-oxobutanoate?
The molecular formula of Methyl 4-(4-anilinoanilino)-4-oxobutanoate is C17H18N2O3.
What is the molecular weight of Methyl 4-(4-anilinoanilino)-4-oxobutanoate?
The molecular weight of Methyl 4-(4-anilinoanilino)-4-oxobutanoate is 298.13 g/mol.
Where can I buy Methyl 4-(4-anilinoanilino)-4-oxobutanoate?
You can request a quote for Methyl 4-(4-anilinoanilino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-anilinoanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-anilinoanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.