尼可待因
TL;DR: 尼可待因 (CAS 3688-66-2) is a chemical compound with molecular formula C24H24N2O4 and molecular weight 404.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼可待因
[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] pyridine-3-carboxylate
Also Known As: Lyopect, Nicocodeine, Nicocodina, Nicocodinum, 6-Nicotinoylcodeine
| Molecular Formula | C24H24N2O4 |
|---|---|
| Molecular Weight | 404.17 g/mol |
| LogP | 2.7608 |
| Topological Polar Surface Area | 60.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.1736 |
| Heavy Atoms | 30 |
| Complexity | 1052.6715 |
Chemical Identifiers
| CAS Number | 3688-66-2 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)OC(=O)C6=CN=CC=C6 |
Product Overview
尼可待因 (CAS 3688-66-2), with molecular formula C24H24N2O4 and molecular weight 404.17 g/mol. IUPAC: [(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] pyridine-3-carboxylate.
Chemical Property Profile of 尼可待因
Property Insights of 尼可待因
The XLogP value of 2.7608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 尼可待因. The TPSA of 60.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 尼可待因. Following Lipinski's Rule of Five, 尼可待因 has 0 hydrogen bond donor(s) and 6 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 尼可待因?
The CAS number of 尼可待因 is 3688-66-2.
What is the molecular formula of 尼可待因?
The molecular formula of 尼可待因 is C24H24N2O4.
What is the molecular weight of 尼可待因?
The molecular weight of 尼可待因 is 404.17 g/mol.
Where can I buy 尼可待因?
You can request a quote for 尼可待因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尼可待因?
Yes, KEHONG BIO provides custom synthesis services for 尼可待因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.