alpha-Acetylmethadol hydrochloride
TL;DR: alpha-Acetylmethadol hydrochloride (CAS 53757-35-0) is a chemical compound with molecular formula C23H32ClNO2 and molecular weight 389.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride
Also Known As: Orlaam, alpha-Acetylmethadol hydrochloride, alpha-d-Acetylmethadol hydrochloride, (+)-a-Acetylmethadol Hydrochloride, (+)-alpha-Acetylmethadol Hydrochloride
| Molecular Formula | C23H32ClNO2 |
|---|---|
| Molecular Weight | 389.21 g/mol |
| LogP | 5.0764 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.21216 |
| Heavy Atoms | 27 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 53757-35-0 |
|---|---|
| SMILES | CC[C@H](C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl |
| InChIKey | UXBPQRGCVJOTNT-TVNLMDKXSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Acetylmethadol hydrochloride (CAS 53757-35-0), with molecular formula C23H32ClNO2 and molecular weight 389.21 g/mol. IUPAC: [(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride.
Chemical Property Profile of alpha-Acetylmethadol hydrochloride
Property Insights of alpha-Acetylmethadol hydrochloride
The XLogP value of 5.0764 indicates that alpha-Acetylmethadol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, alpha-Acetylmethadol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Acetylmethadol hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Acetylmethadol hydrochloride?
The CAS number of alpha-Acetylmethadol hydrochloride is 53757-35-0.
What is the molecular formula of alpha-Acetylmethadol hydrochloride?
The molecular formula of alpha-Acetylmethadol hydrochloride is C23H32ClNO2.
What is the molecular weight of alpha-Acetylmethadol hydrochloride?
The molecular weight of alpha-Acetylmethadol hydrochloride is 389.21 g/mol.
Where can I buy alpha-Acetylmethadol hydrochloride?
You can request a quote for alpha-Acetylmethadol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Acetylmethadol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-Acetylmethadol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.