异可待因
TL;DR: 异可待因 (CAS 509-64-8) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异可待因
(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Also Known As: Isocodeine, 6-Isocodeine, Isocodein, Ardinex, Iso-Codeine
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 1.5011 |
| Topological Polar Surface Area | 41.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 685.15497 |
Chemical Identifiers
| CAS Number | 509-64-8 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@@H](C=C4)O |
Product Overview
异可待因 (CAS 509-64-8), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: (4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol.
Chemical Property Profile of 异可待因
Property Insights of 异可待因
The XLogP value of 1.5011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异可待因. With a topological polar surface area (TPSA) of 41.93 Ų, 异可待因 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异可待因 has 1 hydrogen bond donor(s) and 4 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 异可待因?
The CAS number of 异可待因 is 509-64-8.
What is the molecular formula of 异可待因?
The molecular formula of 异可待因 is C18H21NO3.
What is the molecular weight of 异可待因?
The molecular weight of 异可待因 is 299.15 g/mol.
Where can I buy 异可待因?
You can request a quote for 异可待因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异可待因?
Yes, KEHONG BIO provides custom synthesis services for 异可待因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.