trans-Dihydroisocodeine hydrochloride
TL;DR: trans-Dihydroisocodeine hydrochloride (CAS 28379-50-2) is a chemical compound with molecular formula C18H24ClNO3 and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride
Also Known As: trans-Dihydroisocodeine hydrochloride, trans-Dihydrocodeine hydrochloride, 14-alpha-Morphinan-6-beta-ol, 4,5-alpha-epoxy-3-methoxy-17-methyl-, hydrochloride, Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-beta,14-alpha)-, hydrochloride, 3-Methoxy-17-methyl-5alpha,14alpha-4,5-epoxymorphinan-6beta-ol--hydrogen chloride (1/1)
| Molecular Formula | C18H24ClNO3 |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | 2.1469 |
| Topological Polar Surface Area | 41.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 337.14447 |
| Heavy Atoms | 23 |
| Complexity | 651.39905 |
Chemical Identifiers
| CAS Number | 28379-50-2 |
|---|---|
| SMILES | CN1CC[C@]23[C@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@@H](CC4)O.Cl |
Product Overview
trans-Dihydroisocodeine hydrochloride (CAS 28379-50-2), with molecular formula C18H24ClNO3 and molecular weight 337.14 g/mol. IUPAC: (4R,4aS,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride.
Chemical Property Profile of trans-Dihydroisocodeine hydrochloride
Property Insights of trans-Dihydroisocodeine hydrochloride
The XLogP value of 2.1469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-Dihydroisocodeine hydrochloride. With a topological polar surface area (TPSA) of 41.93 Ų, trans-Dihydroisocodeine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Dihydroisocodeine hydrochloride 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 trans-Dihydroisocodeine hydrochloride?
The CAS number of trans-Dihydroisocodeine hydrochloride is 28379-50-2.
What is the molecular formula of trans-Dihydroisocodeine hydrochloride?
The molecular formula of trans-Dihydroisocodeine hydrochloride is C18H24ClNO3.
What is the molecular weight of trans-Dihydroisocodeine hydrochloride?
The molecular weight of trans-Dihydroisocodeine hydrochloride is 337.14 g/mol.
Where can I buy trans-Dihydroisocodeine hydrochloride?
You can request a quote for trans-Dihydroisocodeine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Dihydroisocodeine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for trans-Dihydroisocodeine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.