Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1)
TL;DR: Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1) (CAS 87253-06-3) is a chemical compound with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-amino-4-phenylbutanoate;hydrochloride
Also Known As: DL-2-Amino-4-phenylbutyric acid octyl ester hydrochloride, octyl 2-amino-4-phenylbutanoate hydrochloride, Butyric acid, 2-amino-4-phenyl-, octyl ester, hydrochloride, DL-, Benzenebutanoic acid, alpha-amino-, octyl ester, hydrochloride, (+-)-, Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1)
| Molecular Formula | C18H30ClNO2 |
|---|---|
| Molecular Weight | 327.20 g/mol |
| LogP | 4.272 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 327.1965 |
| Heavy Atoms | 22 |
| Complexity | 383.93335 |
Chemical Identifiers
| CAS Number | 87253-06-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(CCC1=CC=CC=C1)N.Cl |
Product Overview
Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1) (CAS 87253-06-3), with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol. IUPAC: octyl 2-amino-4-phenylbutanoate;hydrochloride.
Chemical Property Profile of Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1)
Property Insights of Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1)
The XLogP value of 4.272 indicates that Octyl 2-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, Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 2-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 Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1)?
The CAS number of Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1) is 87253-06-3.
What is the molecular formula of Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1)?
The molecular formula of Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1) is C18H30ClNO2.
What is the molecular weight of Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1)?
The molecular weight of Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1) is 327.20 g/mol.
Where can I buy Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1)?
You can request a quote for Octyl 2-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 Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Octyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.