6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1)
TL;DR: 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1) (CAS 87252-88-8) 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.
6,6-dimethylheptyl 2-amino-2-phenylacetate;hydrochloride
Also Known As: DL-2-Phenylglycine 6,6-dimethylheptyl ester hydrochloride, Glycine, 2-phenyl-, 6,6-dimethylheptyl ester, hydrochloride, DL-, Benzeneacetic acid, alpha-amino-, 6,6-methylheptyl ester, hydrochloride, (+-)-, 6,6-dimethylheptyl 2-amino-2-phenylacetate hydrochloride, 6,6-dimethylheptyl 2-amino-2-phenylacetate,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 | 87252-88-8 |
|---|---|
| SMILES | CC(C)(C)CCCCCOC(=O)C(C1=CC=CC=C1)N.Cl |
Product Overview
6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1) (CAS 87252-88-8), with molecular formula C17H28ClNO2 and molecular weight 313.18 g/mol. IUPAC: 6,6-dimethylheptyl 2-amino-2-phenylacetate;hydrochloride.
Chemical Property Profile of 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1)
Property Insights of 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1)
The XLogP value of 4.2579 indicates that 6,6-Dimethylheptyl 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, 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6-Dimethylheptyl 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 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1)?
The CAS number of 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1) is 87252-88-8.
What is the molecular formula of 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1)?
The molecular formula of 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1) is C17H28ClNO2.
What is the molecular weight of 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1)?
The molecular weight of 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1) is 313.18 g/mol.
Where can I buy 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1)?
You can request a quote for 6,6-Dimethylheptyl 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 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethylheptyl amino(phenyl)acetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.