Methyl 3-(3-methylbutanamido)benzoate
TL;DR: Methyl 3-(3-methylbutanamido)benzoate (CAS 847476-83-9) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-methylbutanoylamino)benzoate
Also Known As: methyl 3-(3-methylbutanamido)benzoate, methyl 3-(3-methylbutanoylamino)benzoate, methyl 3-[(3-methylbutanoyl)amino]benzoate
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.4578 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 412.88052 |
Chemical Identifiers
| CAS Number | 847476-83-9 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=CC=CC(=C1)C(=O)OC |
Product Overview
Methyl 3-(3-methylbutanamido)benzoate (CAS 847476-83-9), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: methyl 3-(3-methylbutanoylamino)benzoate.
Chemical Property Profile of Methyl 3-(3-methylbutanamido)benzoate
Property Insights of Methyl 3-(3-methylbutanamido)benzoate
The XLogP value of 2.4578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-methylbutanamido)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-(3-methylbutanamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3-methylbutanamido)benzoate 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-(3-methylbutanamido)benzoate?
The CAS number of Methyl 3-(3-methylbutanamido)benzoate is 847476-83-9.
What is the molecular formula of Methyl 3-(3-methylbutanamido)benzoate?
The molecular formula of Methyl 3-(3-methylbutanamido)benzoate is C13H17NO3.
What is the molecular weight of Methyl 3-(3-methylbutanamido)benzoate?
The molecular weight of Methyl 3-(3-methylbutanamido)benzoate is 235.12 g/mol.
Where can I buy Methyl 3-(3-methylbutanamido)benzoate?
You can request a quote for Methyl 3-(3-methylbutanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-methylbutanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-methylbutanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.