4'-Methylglutaranilic acid
TL;DR: 4'-Methylglutaranilic acid (CAS 128019-59-0) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylanilino)-5-oxopentanoic acid
Also Known As: 5-[(4-methylphenyl)amino]-5-oxopentanoic acid, Boc-2-carboxypiperazine, 4'-methylglutaranilic acid, 5-(4-methylanilino)-5-oxopentanoic acid, 5-oxo-5-(P-Tolylamino)pentanoic acid
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 2.18842 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 370.3552 |
Chemical Identifiers
| CAS Number | 128019-59-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CCCC(=O)O |
Product Overview
4'-Methylglutaranilic acid (CAS 128019-59-0), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 5-(4-methylanilino)-5-oxopentanoic acid.
Chemical Property Profile of 4'-Methylglutaranilic acid
Property Insights of 4'-Methylglutaranilic acid
The XLogP value of 2.18842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methylglutaranilic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Methylglutaranilic acid. Following Lipinski's Rule of Five, 4'-Methylglutaranilic 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'-Methylglutaranilic acid?
The CAS number of 4'-Methylglutaranilic acid is 128019-59-0.
What is the molecular formula of 4'-Methylglutaranilic acid?
The molecular formula of 4'-Methylglutaranilic acid is C12H15NO3.
What is the molecular weight of 4'-Methylglutaranilic acid?
The molecular weight of 4'-Methylglutaranilic acid is 221.11 g/mol.
Where can I buy 4'-Methylglutaranilic acid?
You can request a quote for 4'-Methylglutaranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methylglutaranilic acid?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methylglutaranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.