Isocodeine acid tartrate
TL;DR: Isocodeine acid tartrate (CAS 63732-64-9) is a chemical compound with molecular formula C22H27NO9 and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: Isocodeine acid tartrate, Morphinan-6-beta-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, tartrate, 2,3-Dihydroxybutanedioic acid--3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol (1/1), (2R,3R)-2,3-Dihydroxybutanedioic acid--3-methoxy-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-6beta-ol (1/1), Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.beta.)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
| Molecular Formula | C22H27NO9 |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | -0.6215 |
| Topological Polar Surface Area | 156.99 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.16858 |
| Heavy Atoms | 32 |
| Complexity | 944.965 |
Chemical Identifiers
| CAS Number | 63732-64-9 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@@H](C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
Isocodeine acid tartrate (CAS 63732-64-9), with molecular formula C22H27NO9 and molecular weight 449.17 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;(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of Isocodeine acid tartrate
Property Insights of Isocodeine acid tartrate
The XLogP value of -0.6215 indicates that Isocodeine acid tartrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.99 Ų indicates high polarity, suggesting Isocodeine acid tartrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isocodeine acid tartrate has 5 hydrogen bond donor(s) and 8 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 Isocodeine acid tartrate?
The CAS number of Isocodeine acid tartrate is 63732-64-9.
What is the molecular formula of Isocodeine acid tartrate?
The molecular formula of Isocodeine acid tartrate is C22H27NO9.
What is the molecular weight of Isocodeine acid tartrate?
The molecular weight of Isocodeine acid tartrate is 449.17 g/mol.
Where can I buy Isocodeine acid tartrate?
You can request a quote for Isocodeine acid tartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocodeine acid tartrate?
Yes, KEHONG BIO provides custom synthesis services for Isocodeine acid tartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.