beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL-
TL;DR: beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL- (CAS 87252-91-3) 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.
heptyl 3-amino-3-phenylpropanoate;hydrochloride
Also Known As: beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL-, DL-3-Phenyl-beta-alanine heptyl ester hydrochloride, heptyl 3-amino-3-phenylpropanoate hydrochloride, heptyl 3-amino-3-phenylpropanoate,hydrochloride, Benzenepropanoic acid, beta-amino-, heptyl ester, 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 | 87252-91-3 |
|---|---|
| SMILES | CCCCCCCOC(=O)CC(C1=CC=CC=C1)N.Cl |
Product Overview
beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL- (CAS 87252-91-3), with molecular formula C16H26ClNO2 and molecular weight 299.17 g/mol. IUPAC: heptyl 3-amino-3-phenylpropanoate;hydrochloride.
Chemical Property Profile of beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL-
Property Insights of beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL-
The XLogP value of 4.0119 indicates that beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL- 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 beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL-?
The CAS number of beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL- is 87252-91-3.
What is the molecular formula of beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL-?
The molecular formula of beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL- is C16H26ClNO2.
What is the molecular weight of beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL-?
The molecular weight of beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL- is 299.17 g/mol.
Where can I buy beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL-?
You can request a quote for beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, 3-phenyl-, heptyl ester, hydrochloride, DL- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.