N-isopentylbenzamide
TL;DR: N-isopentylbenzamide (CAS 31702-95-1) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylbutyl)benzamide
Also Known As: N-isopentylbenzamide, N-(3-methylbutyl)benzamide, N-Isoamyl-benzamid, N-(3-methylbutyl)-benzamide, Benzamide, N-(3-methylbutyl)-
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.4625 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 279.63303 |
Chemical Identifiers
| CAS Number | 31702-95-1 |
|---|---|
| SMILES | CC(C)CCNC(=O)C1=CC=CC=C1 |
Product Overview
N-isopentylbenzamide (CAS 31702-95-1), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: N-(3-methylbutyl)benzamide.
Chemical Property Profile of N-isopentylbenzamide
Property Insights of N-isopentylbenzamide
The XLogP value of 2.4625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isopentylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-isopentylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-isopentylbenzamide has 1 hydrogen bond donor(s) and 1 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 N-isopentylbenzamide?
The CAS number of N-isopentylbenzamide is 31702-95-1.
What is the molecular formula of N-isopentylbenzamide?
The molecular formula of N-isopentylbenzamide is C12H17NO.
What is the molecular weight of N-isopentylbenzamide?
The molecular weight of N-isopentylbenzamide is 191.13 g/mol.
Where can I buy N-isopentylbenzamide?
You can request a quote for N-isopentylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isopentylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-isopentylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.