5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)
TL;DR: 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) (CAS 87253-00-7) is a chemical compound with molecular formula C17H28ClNO2 and molecular weight 313.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethylhexyl 3-amino-3-phenylpropanoate;hydrochloride
Also Known As: beta-Alanine, 3-phenyl-, 5,5-dimethylhexyl ester, hydrochloride, DL-, DL-3-Phenyl-beta-alanine 5,5-dimethylhexyl ester hydrochloride, DL-3-Phenyl-3-aminopropionsaeure-5,5-dimethylhexylaester, DL-3-Phenyl-3-aminopropionsaeure-5,5-dimethylhexylaester [German], Benzenepropanoic acid, beta-amino-, 5,5-dimethylhexyl ester, hydrochloride, (+-)-
| Molecular Formula | C17H28ClNO2 |
|---|---|
| Molecular Weight | 313.18 g/mol |
| LogP | 4.2579 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.18085 |
| Heavy Atoms | 21 |
| Complexity | 401.0012 |
Chemical Identifiers
| CAS Number | 87253-00-7 |
|---|---|
| SMILES | CC(C)(C)CCCCOC(=O)CC(C1=CC=CC=C1)N.Cl |
Product Overview
5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) (CAS 87253-00-7), with molecular formula C17H28ClNO2 and molecular weight 313.18 g/mol. IUPAC: 5,5-dimethylhexyl 3-amino-3-phenylpropanoate;hydrochloride.
Chemical Property Profile of 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)
Property Insights of 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)
The XLogP value of 4.2579 indicates that 5,5-Dimethylhexyl 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, 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethylhexyl 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 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)?
The CAS number of 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) is 87253-00-7.
What is the molecular formula of 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)?
The molecular formula of 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) is C17H28ClNO2.
What is the molecular weight of 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)?
The molecular weight of 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) is 313.18 g/mol.
Where can I buy 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)?
You can request a quote for 5,5-Dimethylhexyl 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 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.