Isopentyl caprylamide
TL;DR: Isopentyl caprylamide (CAS 546098-90-2) is a chemical compound with molecular formula C13H27NO and molecular weight 213.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylbutyl)octanamide
Also Known As: Isopentyl caprylamide, N-(3-methylbutyl)octanamide, Isopentyl caprylamide [INCI], Octanamide, N-(3-methylbutyl)-
| Molecular Formula | C13H27NO |
|---|---|
| Molecular Weight | 213.21 g/mol |
| LogP | 3.5092 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 213.20926 |
| Heavy Atoms | 15 |
| Complexity | 154.61494 |
Chemical Identifiers
| CAS Number | 546098-90-2 |
|---|---|
| SMILES | CCCCCCCC(=O)NCCC(C)C |
Product Overview
Isopentyl caprylamide (CAS 546098-90-2), with molecular formula C13H27NO and molecular weight 213.21 g/mol. IUPAC: N-(3-methylbutyl)octanamide.
Chemical Property Profile of Isopentyl caprylamide
Property Insights of Isopentyl caprylamide
The XLogP value of 3.5092 indicates that Isopentyl caprylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, Isopentyl caprylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl caprylamide 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 Isopentyl caprylamide?
The CAS number of Isopentyl caprylamide is 546098-90-2.
What is the molecular formula of Isopentyl caprylamide?
The molecular formula of Isopentyl caprylamide is C13H27NO.
What is the molecular weight of Isopentyl caprylamide?
The molecular weight of Isopentyl caprylamide is 213.21 g/mol.
Where can I buy Isopentyl caprylamide?
You can request a quote for Isopentyl caprylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl caprylamide?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl caprylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.