5,5-Dimethylhexyl amino(phenyl)acetate--hydrogen chloride (1/1)
TL;DR: 5,5-Dimethylhexyl amino(phenyl)acetate--hydrogen chloride (1/1) (CAS 87252-87-7) 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.
5,5-dimethylhexyl 2-amino-2-phenylacetate;hydrochloride
Also Known As: DL-2-Phenylglycine 5,5-dimethylhexyl ester hydrochloride, Glycine, 2-phenyl-, 5,5-dimethylhexyl ester, hydrochloride, DL-, Benzeneacetic acid, alpha-amino-, 5,5-methylhexyl ester, hydrochloride, (+-)-, 5,5-dimethylhexyl 2-amino-2-phenylacetate hydrochloride, 5,5-dimethylhexyl 2-amino-2-phenylacetate,hydrochloride
| Molecular Formula | C16H26ClNO2 |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | 3.8678 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.1652 |
| Heavy Atoms | 20 |
| Complexity | 387.21338 |
Chemical Identifiers
| CAS Number | 87252-87-7 |
|---|---|
| SMILES | CC(C)(C)CCCCOC(=O)C(C1=CC=CC=C1)N.Cl |
Product Overview
5,5-Dimethylhexyl amino(phenyl)acetate--hydrogen chloride (1/1) (CAS 87252-87-7), with molecular formula C16H26ClNO2 and molecular weight 299.17 g/mol. IUPAC: 5,5-dimethylhexyl 2-amino-2-phenylacetate;hydrochloride.
Chemical Property Profile of 5,5-Dimethylhexyl amino(phenyl)acetate--hydrogen chloride (1/1)
Property Insights of 5,5-Dimethylhexyl amino(phenyl)acetate--hydrogen chloride (1/1)
The XLogP value of 3.8678 indicates that 5,5-Dimethylhexyl amino(phenyl)acetate--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 amino(phenyl)acetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethylhexyl amino(phenyl)acetate--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 amino(phenyl)acetate--hydrogen chloride (1/1)?
The CAS number of 5,5-Dimethylhexyl amino(phenyl)acetate--hydrogen chloride (1/1) is 87252-87-7.
What is the molecular formula of 5,5-Dimethylhexyl amino(phenyl)acetate--hydrogen chloride (1/1)?
The molecular formula of 5,5-Dimethylhexyl amino(phenyl)acetate--hydrogen chloride (1/1) is C16H26ClNO2.
What is the molecular weight of 5,5-Dimethylhexyl amino(phenyl)acetate--hydrogen chloride (1/1)?
The molecular weight of 5,5-Dimethylhexyl amino(phenyl)acetate--hydrogen chloride (1/1) is 299.17 g/mol.
Where can I buy 5,5-Dimethylhexyl amino(phenyl)acetate--hydrogen chloride (1/1)?
You can request a quote for 5,5-Dimethylhexyl amino(phenyl)acetate--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 amino(phenyl)acetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethylhexyl amino(phenyl)acetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.