Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester
TL;DR: Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester (CAS 68084-20-8) is a chemical compound with molecular formula C12H25NO4 and molecular weight 247.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl 6-aminohexanoate
Also Known As: 2,2-Bis(hydroxymethyl)butyl 6-aminohexanoate, 2,2-bis butyl6-aminohexanoate, Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester, 6-Aminohexanoic acid 2,2-bis(hydroxymethyl)butyl ester, 2-ETHYL-3-HYDROXY-2-(HYDROXYMETHYL)PROPYL 6-AMINOHEXANOATE
| Molecular Formula | C12H25NO4 |
|---|---|
| Molecular Weight | 247.18 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 247.17836 |
| Heavy Atoms | 17 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 68084-20-8 |
|---|---|
| SMILES | CCC(CO)(CO)COC(=O)CCCCCN |
| InChIKey | DWVOZKAOIUGQCB-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester (CAS 68084-20-8), with molecular formula C12H25NO4 and molecular weight 247.18 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl 6-aminohexanoate.
Chemical Property Profile of Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester
Property Insights of Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester
The XLogP value of -0.2 indicates that Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester. Following Lipinski's Rule of Five, Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester has 3 hydrogen bond donor(s) and 5 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 Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester?
The CAS number of Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester is 68084-20-8.
What is the molecular formula of Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester?
The molecular formula of Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester is C12H25NO4.
What is the molecular weight of Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester?
The molecular weight of Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester is 247.18 g/mol.
Where can I buy Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester?
You can request a quote for Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.