![Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1) structure](/static/products/6460/64601-13-4.webp)
Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1)
TL;DR: Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1) (CAS 64601-13-4) is a chemical compound with molecular formula C13H29NO3 and molecular weight 247.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octanoic acid;2-(propan-2-ylamino)ethanol
Also Known As: Caprylic acid, isopropylaminoethanol salt, octanoic acid,2-(propan-2-ylamino)ethanol, octanoic acid; 2-(propan-2-ylamino)ethanol, Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1), Octanoic acid, compound with 2-(isopropylamino)ethanol (1:1)
| Molecular Formula | C13H29NO3 |
|---|---|
| Molecular Weight | 247.21 g/mol |
| LogP | 2.4082 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 247.21474 |
| Heavy Atoms | 17 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 64601-13-4 |
|---|---|
| SMILES | CCCCCCCC(=O)O.CC(C)NCCO |
| InChIKey | CLUKHARRSZKCCJ-UHFFFAOYSA-N |
Product Overview
Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1) (CAS 64601-13-4), with molecular formula C13H29NO3 and molecular weight 247.21 g/mol. IUPAC: octanoic acid;2-(propan-2-ylamino)ethanol.
Chemical Property Profile of Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1)
Property Insights of Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1)
The XLogP value of 2.4082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1). The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1). Following Lipinski's Rule of Five, Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1) has 3 hydrogen bond donor(s) and 4 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 Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1)?
The CAS number of Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1) is 64601-13-4.
What is the molecular formula of Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1)?
The molecular formula of Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1) is C13H29NO3.
What is the molecular weight of Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1)?
The molecular weight of Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1) is 247.21 g/mol.
Where can I buy Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1)?
You can request a quote for Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, compd. with 2-[(1-methylethyl)amino]ethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.