alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l-
TL;DR: alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l- (CAS 63870-12-2) is a chemical compound with molecular formula C28H30N2O2 and molecular weight 426.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,9R,13R)-1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] pyridine-3-carboxylate
Also Known As: alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l-, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-alpha-dimethyl-3-phenethyl-, nicotinate (ester), (-)-, 6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-yl pyridine-3-carboxylate, (2R,6S,11R)-6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-yl pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-phenylethyl)-2,6-methano-3-benzazocin-8-yl ester, [2R-(2.alpha.,6.alpha.,11R*)]-
| Molecular Formula | C28H30N2O2 |
|---|---|
| Molecular Weight | 426.23 g/mol |
| LogP | 5.0677 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.23074 |
| Heavy Atoms | 32 |
| Complexity | 1098.9299 |
Chemical Identifiers
| CAS Number | 63870-12-2 |
|---|---|
| SMILES | C[C@H]1[C@H]2CC3=C([C@]1(CCN2CCC4=CC=CC=C4)C)C=C(C=C3)OC(=O)C5=CN=CC=C5 |
Product Overview
alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l- (CAS 63870-12-2), with molecular formula C28H30N2O2 and molecular weight 426.23 g/mol. IUPAC: [(1S,9R,13R)-1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] pyridine-3-carboxylate.
Chemical Property Profile of alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l-
Property Insights of alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l-
The XLogP value of 5.0677 indicates that alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.43 Ų, alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l-?
The CAS number of alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l- is 63870-12-2.
What is the molecular formula of alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l-?
The molecular formula of alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l- is C28H30N2O2.
What is the molecular weight of alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l-?
The molecular weight of alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l- is 426.23 g/mol.
Where can I buy alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l-?
You can request a quote for alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l-?
Yes, KEHONG BIO provides custom synthesis services for alpha-5,9-Dimethyl-2'-nicotinyloxy-2(N)-phenethyl-6,7-benzomorphan, l- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.