alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride
TL;DR: alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride (CAS 63869-40-9) is a chemical compound with molecular formula C20H28ClNO4 and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,9S,13S)-13-acetyloxy-1-ethyl-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] acetate;hydrochloride
Also Known As: alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride, 2,6-Methano-3-benzazocine-8,11-beta-diol, 1,2,3,4,5,6-hexahydro-3,11-alpha-dimethyl-6-ethyl-, diacetate (ester), hydrochloride, (2S,6S,11S)-6-Ethyl-3,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine-8,11-diyl diacetate--hydrogen chloride (1/1), 2,6-Methano-3-benzazocine-8,11-diol, 6-ethyl-1,2,3,4,5,6-hexahydro-3,11-dimethyl-, diacetate (ester), hydrochloride, (2.alpha.,6.alpha.,11S*)-, 6-Ethyl-3,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine-8,11-diyl diacetate--hydrogen chloride (1/1)
| Molecular Formula | C20H28ClNO4 |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 3.2635 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.1707 |
| Heavy Atoms | 26 |
| Complexity | 721.76276 |
Chemical Identifiers
| CAS Number | 63869-40-9 |
|---|---|
| SMILES | CC[C@@]12CCN([C@H]([C@@]1(C)OC(=O)C)CC3=C2C=C(C=C3)OC(=O)C)C.Cl |
Product Overview
alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride (CAS 63869-40-9), with molecular formula C20H28ClNO4 and molecular weight 381.17 g/mol. IUPAC: [(1S,9S,13S)-13-acetyloxy-1-ethyl-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] acetate;hydrochloride.
Chemical Property Profile of alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride
Property Insights of alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride
The XLogP value of 3.2635 indicates that alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride has 0 hydrogen bond donor(s) and 5 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 alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride?
The CAS number of alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride is 63869-40-9.
What is the molecular formula of alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride?
The molecular formula of alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride is C20H28ClNO4.
What is the molecular weight of alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride?
The molecular weight of alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride is 381.17 g/mol.
Where can I buy alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride?
You can request a quote for alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-2',9-Diacetoxy-5-ethyl-9-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.