Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1)
TL;DR: Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1) (CAS 87253-02-9) is a chemical compound with molecular formula C16H26ClNO2 and molecular weight 299.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 4-amino-4-phenylbutanoate;hydrochloride
Also Known As: DL-4-Amino-4-phenylbutyric acid hexyl ester hydrochloride, hexyl4-amino-4-phenyl-butanoatehydrochloride, hexyl 4-amino-4-phenylbutanoate hydrochloride, DL-4-Phenyl-4-aminobuttersaeure-n-hexylaester hydrochlorid, hexyl 4-amino-4-phenyl-butanoate hydrochloride
| Molecular Formula | C16H26ClNO2 |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | 4.0119 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 299.1652 |
| Heavy Atoms | 20 |
| Complexity | 356.75433 |
Chemical Identifiers
| CAS Number | 87253-02-9 |
|---|---|
| SMILES | CCCCCCOC(=O)CCC(C1=CC=CC=C1)N.Cl |
Product Overview
Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1) (CAS 87253-02-9), with molecular formula C16H26ClNO2 and molecular weight 299.17 g/mol. IUPAC: hexyl 4-amino-4-phenylbutanoate;hydrochloride.
Chemical Property Profile of Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1)
Property Insights of Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1)
The XLogP value of 4.0119 indicates that Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 4-amino-4-phenylbutanoate--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 Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1)?
The CAS number of Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1) is 87253-02-9.
What is the molecular formula of Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1)?
The molecular formula of Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1) is C16H26ClNO2.
What is the molecular weight of Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1)?
The molecular weight of Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1) is 299.17 g/mol.
Where can I buy Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1)?
You can request a quote for Hexyl 4-amino-4-phenylbutanoate--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 Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 4-amino-4-phenylbutanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.