Methyl 3-anilino-2,2-dimethylpropanoate
TL;DR: Methyl 3-anilino-2,2-dimethylpropanoate (CAS 86000-14-8) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-anilino-2,2-dimethylpropanoate
Also Known As: methyl 3-anilino-2,2-dimethylpropanoate, Methyl 3-anilino-2,2-dimethyl-propanoate, methyl 2,2-dimethyl-3-(N-phenylamino)propionate, methyl 2,2-dimethyl-3-(phenylamino)propanoate, 2,2-Dimethyl-3-anilinopropanoic acid methyl ester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.2977 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 319.6538 |
Chemical Identifiers
| CAS Number | 86000-14-8 |
|---|---|
| SMILES | CC(C)(CNC1=CC=CC=C1)C(=O)OC |
Product Overview
Methyl 3-anilino-2,2-dimethylpropanoate (CAS 86000-14-8), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: methyl 3-anilino-2,2-dimethylpropanoate.
Chemical Property Profile of Methyl 3-anilino-2,2-dimethylpropanoate
Property Insights of Methyl 3-anilino-2,2-dimethylpropanoate
The XLogP value of 2.2977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-anilino-2,2-dimethylpropanoate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl 3-anilino-2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-anilino-2,2-dimethylpropanoate 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 3-anilino-2,2-dimethylpropanoate?
The CAS number of Methyl 3-anilino-2,2-dimethylpropanoate is 86000-14-8.
What is the molecular formula of Methyl 3-anilino-2,2-dimethylpropanoate?
The molecular formula of Methyl 3-anilino-2,2-dimethylpropanoate is C12H17NO2.
What is the molecular weight of Methyl 3-anilino-2,2-dimethylpropanoate?
The molecular weight of Methyl 3-anilino-2,2-dimethylpropanoate is 207.13 g/mol.
Where can I buy Methyl 3-anilino-2,2-dimethylpropanoate?
You can request a quote for Methyl 3-anilino-2,2-dimethylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-anilino-2,2-dimethylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-anilino-2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.