2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride
TL;DR: 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride (CAS 63869-46-5) is a chemical compound with molecular formula C23H28ClNO and molecular weight 369.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1R,9S,13R)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-10-yl]-1-phenylpropan-1-one;hydrochloride
Also Known As: 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride, alpha-5,9-Dimethyl-2(N)-phenacylmethyl-6,7-benzomorphan hydrochloride, 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3-(2-(benzoyl)ethyl)-6,11-alpha-dimethyl-, hydrochloride, 1-Propanone, 1-phenyl-3-(1,4,5,6-tetrahydro-6,11-dimethyl-2,6-methano-3-benzazocin-3(2H)-yl)-, hydrochloride, (2.alpha.,6.alpha.,11R*)-, 3-(6,11-Dimethyl-1,4,5,6-tetrahydro-2,6-methano-3-benzazocin-3(2H)-yl)-1-phenylpropan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C23H28ClNO |
|---|---|
| Molecular Weight | 369.19 g/mol |
| LogP | 4.9056 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.18594 |
| Heavy Atoms | 26 |
| Complexity | 774.7871 |
Chemical Identifiers
| CAS Number | 63869-46-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC3=CC=CC=C3[C@@]1(CCN2CCC(=O)C4=CC=CC=C4)C.Cl |
Product Overview
2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride (CAS 63869-46-5), with molecular formula C23H28ClNO and molecular weight 369.19 g/mol. IUPAC: 3-[(1R,9S,13R)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-10-yl]-1-phenylpropan-1-one;hydrochloride.
Chemical Property Profile of 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride
Property Insights of 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride
The XLogP value of 4.9056 indicates that 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-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 20.31 Ų, 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride has 0 hydrogen bond donor(s) and 2 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 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride?
The CAS number of 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride is 63869-46-5.
What is the molecular formula of 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride?
The molecular formula of 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride is C23H28ClNO.
What is the molecular weight of 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride?
The molecular weight of 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride is 369.19 g/mol.
Where can I buy 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride?
You can request a quote for 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-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 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Oxo-3-phenylpropyl)-5,9-dimethyl-6,7-benzomorphan hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.