3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1)
TL;DR: 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1) (CAS 58568-07-3) is a chemical compound with molecular formula C14H30ClNO2 and molecular weight 279.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,6-dimethyl-1-(3-methylbutoxy)-1-oxoheptan-2-yl]azanium chloride
Also Known As: DL-2-Amino-6,6-dimethylheptanoic acid isopentyl ester hydrochloride, DL-2-Amino-6,6-dimethylonanthsaureisoamylesterhydrochlorid, DL-2-Amino-6,6-dimethylonanthsaureisoamylesterhydrochlorid [German], [6,6-dimethyl-1-(3-methylbutoxy)-1-oxoheptan-2-yl]azanium chloride, HEPTANOIC ACID, 2-AMINO-6,6-DIMETHYL-, ISOPENTYL ESTER, HYDROCHLORIDE, DL-
| Molecular Formula | C14H30ClNO2 |
|---|---|
| Molecular Weight | 279.20 g/mol |
| LogP | -0.59 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 279.1965 |
| Heavy Atoms | 18 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 58568-07-3 |
|---|---|
| SMILES | CC(C)CCOC(=O)C(CCCC(C)(C)C)[NH3+].[Cl-] |
| InChIKey | ATIRIQLLAKMDGO-UHFFFAOYSA-N |
Product Overview
3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1) (CAS 58568-07-3), with molecular formula C14H30ClNO2 and molecular weight 279.20 g/mol. IUPAC: [6,6-dimethyl-1-(3-methylbutoxy)-1-oxoheptan-2-yl]azanium chloride.
Chemical Property Profile of 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1)
Property Insights of 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1)
The XLogP value of -0.59 indicates that 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.9 Ų, 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1) 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 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1)?
The CAS number of 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1) is 58568-07-3.
What is the molecular formula of 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1)?
The molecular formula of 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1) is C14H30ClNO2.
What is the molecular weight of 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1)?
The molecular weight of 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1) is 279.20 g/mol.
Where can I buy 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1)?
You can request a quote for 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.