Paracodeine bitartrate
TL;DR: Paracodeine bitartrate (CAS 5965-13-9) is a chemical compound with molecular formula C22H29NO9 and molecular weight 451.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxybutanedioic acid;9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Also Known As: Tuscodin, DIHYDROCODEINE, Dihydrocodeine bitartrate, Paracodeine bitartrate, Hydrocodeine bitartrate
| Molecular Formula | C22H29NO9 |
|---|---|
| Molecular Weight | 451.18 g/mol |
| LogP | -0.3975 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.18423 |
| Heavy Atoms | 32 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 5965-13-9 |
|---|---|
| SMILES | CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)O.C(C(C(=O)O)O)(C(=O)O)O |
| InChIKey | ZGSZBVAEVPSPFM-UHFFFAOYSA-N |
Product Overview
Paracodeine bitartrate (CAS 5965-13-9), with molecular formula C22H29NO9 and molecular weight 451.18 g/mol. IUPAC: 2,3-dihydroxybutanedioic acid;9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol.
Chemical Property Profile of Paracodeine bitartrate
Property Insights of Paracodeine bitartrate
The XLogP value of -0.3975 indicates that Paracodeine bitartrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting Paracodeine bitartrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Paracodeine bitartrate has 5 hydrogen bond donor(s) and 10 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 Paracodeine bitartrate?
The CAS number of Paracodeine bitartrate is 5965-13-9.
What is the molecular formula of Paracodeine bitartrate?
The molecular formula of Paracodeine bitartrate is C22H29NO9.
What is the molecular weight of Paracodeine bitartrate?
The molecular weight of Paracodeine bitartrate is 451.18 g/mol.
Where can I buy Paracodeine bitartrate?
You can request a quote for Paracodeine bitartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paracodeine bitartrate?
Yes, KEHONG BIO provides custom synthesis services for Paracodeine bitartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.