Thebaine hydrochloride
TL;DR: Thebaine hydrochloride (CAS 850-57-7) is a chemical compound with molecular formula C19H22ClNO3 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;hydrochloride
Also Known As: Thebaine hydrochloride, Thebaine HCl, Thebain hydrochlorid, (-)-Thebaine hydrochloride, Thebain hydrochlorid [German]
| Molecular Formula | C19H22ClNO3 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 2.8463 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.1288 |
| Heavy Atoms | 24 |
| Complexity | 772.12054 |
Chemical Identifiers
| CAS Number | 850-57-7 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC.Cl |
Product Overview
Thebaine hydrochloride (CAS 850-57-7), with molecular formula C19H22ClNO3 and molecular weight 347.13 g/mol. IUPAC: (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;hydrochloride.
Chemical Property Profile of Thebaine hydrochloride
Property Insights of Thebaine hydrochloride
The XLogP value of 2.8463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thebaine hydrochloride. With a topological polar surface area (TPSA) of 30.93 Ų, Thebaine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thebaine hydrochloride has 0 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 Thebaine hydrochloride?
The CAS number of Thebaine hydrochloride is 850-57-7.
What is the molecular formula of Thebaine hydrochloride?
The molecular formula of Thebaine hydrochloride is C19H22ClNO3.
What is the molecular weight of Thebaine hydrochloride?
The molecular weight of Thebaine hydrochloride is 347.13 g/mol.
Where can I buy Thebaine hydrochloride?
You can request a quote for Thebaine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thebaine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Thebaine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.