Thebaine hydrochloride monohydrate
TL;DR: Thebaine hydrochloride monohydrate (CAS 5967-74-8) is a chemical compound with molecular formula C19H24ClNO4 and molecular weight 365.14 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;hydrate;hydrochloride
Also Known As: Thebaine HCl hydrate, Thebaine hydrochloride monohydrate, Morphinan, 6,7,8,14-tetradehydro-3,6-dimethoxy-4,5-epoxy-17-methyl-, hydrochloride, monohydrate, (5-alpha)-, (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline,hydrate,hydrochloride, 3,6-Dimethoxy-17-methyl-5alpha-6,7,8,14-tetradehydro-4,5-epoxymorphinan--hydrogen chloride--water (1/1/1)
| Molecular Formula | C19H24ClNO4 |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | 2.0216 |
| Topological Polar Surface Area | 62.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.13937 |
| Heavy Atoms | 25 |
| Complexity | 774.93274 |
Chemical Identifiers
| CAS Number | 5967-74-8 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC.O.Cl |
Product Overview
Thebaine hydrochloride monohydrate (CAS 5967-74-8), with molecular formula C19H24ClNO4 and molecular weight 365.14 g/mol. IUPAC: (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;hydrate;hydrochloride.
Chemical Property Profile of Thebaine hydrochloride monohydrate
Property Insights of Thebaine hydrochloride monohydrate
The XLogP value of 2.0216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thebaine hydrochloride monohydrate. The TPSA of 62.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Thebaine hydrochloride monohydrate. Following Lipinski's Rule of Five, Thebaine hydrochloride monohydrate 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 monohydrate?
The CAS number of Thebaine hydrochloride monohydrate is 5967-74-8.
What is the molecular formula of Thebaine hydrochloride monohydrate?
The molecular formula of Thebaine hydrochloride monohydrate is C19H24ClNO4.
What is the molecular weight of Thebaine hydrochloride monohydrate?
The molecular weight of Thebaine hydrochloride monohydrate is 365.14 g/mol.
Where can I buy Thebaine hydrochloride monohydrate?
You can request a quote for Thebaine hydrochloride monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thebaine hydrochloride monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Thebaine hydrochloride monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.