methyl N-benzoyl-2-methylalaninate
TL;DR: methyl N-benzoyl-2-methylalaninate (CAS 65563-98-6) 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 2-benzamido-2-methylpropanoate
Also Known As: methyl N-benzoyl-2-methylalaninate, methyl 2-benzamido-2-methylpropanoate, methyl2-benzamido-2-methylpropanoate, methyl 2-benzamido-2-methyl-propanoate, Alanine, N-benzoyl-2-methyl-, methyl ester
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.368 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 384.51016 |
Chemical Identifiers
| CAS Number | 65563-98-6 |
|---|---|
| SMILES | CC(C)(C(=O)OC)NC(=O)C1=CC=CC=C1 |
Product Overview
methyl N-benzoyl-2-methylalaninate (CAS 65563-98-6), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: methyl 2-benzamido-2-methylpropanoate.
Chemical Property Profile of methyl N-benzoyl-2-methylalaninate
Property Insights of methyl N-benzoyl-2-methylalaninate
The XLogP value of 1.368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-benzoyl-2-methylalaninate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl N-benzoyl-2-methylalaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-benzoyl-2-methylalaninate 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 N-benzoyl-2-methylalaninate?
The CAS number of methyl N-benzoyl-2-methylalaninate is 65563-98-6.
What is the molecular formula of methyl N-benzoyl-2-methylalaninate?
The molecular formula of methyl N-benzoyl-2-methylalaninate is C12H15NO3.
What is the molecular weight of methyl N-benzoyl-2-methylalaninate?
The molecular weight of methyl N-benzoyl-2-methylalaninate is 221.11 g/mol.
Where can I buy methyl N-benzoyl-2-methylalaninate?
You can request a quote for methyl N-benzoyl-2-methylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-benzoyl-2-methylalaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-benzoyl-2-methylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.