3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)
TL;DR: 3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) (CAS 87252-95-7) is a chemical compound with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 3-amino-3-phenylpropanoate;hydrochloride
Also Known As: DL-3-Phenyl-beta-alanine isopentyl ester hydrochloride, beta-Alanine, 3-phenyl-, isopentyl ester, hydrochloride, DL-, Benzenepropanoic acid, beta-amino-, 3-methylbutyl ester, hydrochloride, (+-)-, 3-methylbutyl 3-amino-3-phenylpropanoate hydrochloride, 3-methylbutyl 3-amino-3-phenylpropanoate,hydrochloride
| Molecular Formula | C14H22ClNO2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | 3.0876 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.1339 |
| Heavy Atoms | 18 |
| Complexity | 340.90704 |
Chemical Identifiers
| CAS Number | 87252-95-7 |
|---|---|
| SMILES | CC(C)CCOC(=O)CC(C1=CC=CC=C1)N.Cl |
Product Overview
3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) (CAS 87252-95-7), with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol. IUPAC: 3-methylbutyl 3-amino-3-phenylpropanoate;hydrochloride.
Chemical Property Profile of 3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)
Property Insights of 3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)
The XLogP value of 3.0876 indicates that 3-Methylbutyl 3-amino-3-phenylpropanoate--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, 3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl 3-amino-3-phenylpropanoate--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 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)?
The CAS number of 3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) is 87252-95-7.
What is the molecular formula of 3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)?
The molecular formula of 3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) is C14H22ClNO2.
What is the molecular weight of 3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)?
The molecular weight of 3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) is 271.13 g/mol.
Where can I buy 3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)?
You can request a quote for 3-Methylbutyl 3-amino-3-phenylpropanoate--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 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.