alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride
TL;DR: alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride (CAS 63869-44-3) is a chemical compound with molecular formula C21H26ClNO2 and molecular weight 359.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,9S,13S)-1-methyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol;hydrochloride
Also Known As: alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride, 2,6-Methano-3-benzazocine-8,11-beta-diol, 1,2,3,4,5,6-hexahydro-6-methyl-3-phenethyl-, hydrochloride, (2S,6S,11S)-6-Methyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine-8,11-diol--hydrogen chloride (1/1), 2,6-Methano-3-benzazocine-8,11-diol, 1,2,3,4,5,6-hexahydro-6-methyl-3-(2-phenylethyl)-, hydrochloride, (2.alpha.,6.alpha.,11S*)-, 6-Methyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine-8,11-diol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C21H26ClNO2 |
| Molecular Weight | 359.1652 g/mol |
| XLogP | 3.3057 |
| Topological Polar Surface Area (TPSA) | 43.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.1652 Da |
| Heavy Atoms | 25 |
| Complexity | 436.0 |
| SMILES | C[C@@]12CCN([C@H]([C@H]1O)CC3=C2C=C(C=C3)O)CCC4=CC=CC=C4.Cl |
| InChIKey | GTFBQYYXHHQRGD-NFQNBQCWSA-N |
Chemical Property Profile of alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride
Property Insights of alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride
The XLogP value of 3.3057 indicates that alpha-2',9-Dihydroxy-2(N)-phenethyl-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 43.7 Ų, alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride?
The CAS number of alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride is 63869-44-3.
What is the molecular formula of alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride?
The molecular formula of alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride is C21H26ClNO2.
What is the molecular weight of alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride?
The molecular weight of alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride is 359.1652 g/mol.
Where can I buy alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride?
You can request a quote for alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride?
Yes, CoreyChem provides custom synthesis services for alpha-2',9-Dihydroxy-2(N)-phenethyl-6,7-benzomorphan hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.