Methyl 5-anilino-5-oxopentanoate
TL;DR: Methyl 5-anilino-5-oxopentanoate (CAS 64785-81-5) 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.
methyl 5-anilino-5-oxopentanoate
Also Known As: methyl 5-anilino-5-oxopentanoate, methyl 5-oxo-5-(phenylamino)pentanoate, methyl 4-(N-phenylcarbamoyl)butanoate, METHYL 4-(PHENYLCARBAMOYL)BUTANOATE, 4-phenylcarbamoyl butyric acid methyl ester
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.9684 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 348.54132 |
Chemical Identifiers
| CAS Number | 64785-81-5 |
|---|---|
| SMILES | COC(=O)CCCC(=O)NC1=CC=CC=C1 |
Product Overview
Methyl 5-anilino-5-oxopentanoate (CAS 64785-81-5), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: methyl 5-anilino-5-oxopentanoate.
Chemical Property Profile of Methyl 5-anilino-5-oxopentanoate
Property Insights of Methyl 5-anilino-5-oxopentanoate
The XLogP value of 1.9684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-anilino-5-oxopentanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 5-anilino-5-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-anilino-5-oxopentanoate has 1 hydrogen bond donor(s) and 3 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 5-anilino-5-oxopentanoate?
The CAS number of Methyl 5-anilino-5-oxopentanoate is 64785-81-5.
What is the molecular formula of Methyl 5-anilino-5-oxopentanoate?
The molecular formula of Methyl 5-anilino-5-oxopentanoate is C12H15NO3.
What is the molecular weight of Methyl 5-anilino-5-oxopentanoate?
The molecular weight of Methyl 5-anilino-5-oxopentanoate is 221.11 g/mol.
Where can I buy Methyl 5-anilino-5-oxopentanoate?
You can request a quote for Methyl 5-anilino-5-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-anilino-5-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-anilino-5-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.