RefChem:248612
TL;DR: RefChem:248612 (CAS 63869-52-3) is a chemical compound with molecular formula C19H28ClNO2 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,9S,13R)-1,13-diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] acetate;hydrochloride
Also Known As: alpha-2'-Acetoxy-5,9-diethyl-2(N)-methyl-6,7-benzomorphan hydrochloride, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-alpha-diethyl-3-methyl-, acetate (ester), hydrochloride, (2S,6R,11R)-6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-yl acetate--hydrogen chloride (1/1), 2,6-Methano-3-benzazocin-8-ol, 6,11-diethyl-1,2,3,4,5,6-hexahydro-3-methyl-, acetate (ester), hydrochloride, (2.alpha.,6.alpha.,11R*)-, RefChem:248612
| Molecular Formula | C19H28ClNO2 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 3.9679 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.18085 |
| Heavy Atoms | 23 |
| Complexity | 588.73236 |
Chemical Identifiers
| CAS Number | 63869-52-3 |
|---|---|
| SMILES | CC[C@H]1[C@@H]2CC3=C([C@@]1(CCN2C)CC)C=C(C=C3)OC(=O)C.Cl |
Product Overview
RefChem:248612 (CAS 63869-52-3), with molecular formula C19H28ClNO2 and molecular weight 337.18 g/mol. IUPAC: [(1R,9S,13R)-1,13-diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] acetate;hydrochloride.
Chemical Property Profile of RefChem:248612
Property Insights of RefChem:248612
The XLogP value of 3.9679 indicates that RefChem:248612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, RefChem:248612 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:248612 has 0 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 RefChem:248612?
The CAS number of RefChem:248612 is 63869-52-3.
What is the molecular formula of RefChem:248612?
The molecular formula of RefChem:248612 is C19H28ClNO2.
What is the molecular weight of RefChem:248612?
The molecular weight of RefChem:248612 is 337.18 g/mol.
Where can I buy RefChem:248612?
You can request a quote for RefChem:248612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:248612?
Yes, KEHONG BIO provides custom synthesis services for RefChem:248612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.