Tetrahydrothebaine
TL;DR: Tetrahydrothebaine (CAS 41714-53-8) is a chemical compound with molecular formula C19H25NO3 and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,9-dimethoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Also Known As: Tetrahydrothebaine, (4R,4aR,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline, 10,14-dimethoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-triene, 5,6,7,7a,8,9-Hexahydro-3,5-dimethoxy-12-methyl-4aH-8,9c-(iminoethano)phenanthro[4,5-bcd]furan
| Molecular Formula | C19H25NO3 |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.18344 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 41714-53-8 |
|---|---|
| SMILES | CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)OC |
| InChIKey | RVJQWONQPCTLDL-UHFFFAOYSA-N |
Product Overview
Tetrahydrothebaine (CAS 41714-53-8), with molecular formula C19H25NO3 and molecular weight 315.18 g/mol. IUPAC: 7,9-dimethoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline.
Chemical Property Profile of Tetrahydrothebaine
Property Insights of Tetrahydrothebaine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydrothebaine. With a topological polar surface area (TPSA) of 30.9 Ų, Tetrahydrothebaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydrothebaine 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 Tetrahydrothebaine?
The CAS number of Tetrahydrothebaine is 41714-53-8.
What is the molecular formula of Tetrahydrothebaine?
The molecular formula of Tetrahydrothebaine is C19H25NO3.
What is the molecular weight of Tetrahydrothebaine?
The molecular weight of Tetrahydrothebaine is 315.18 g/mol.
Where can I buy Tetrahydrothebaine?
You can request a quote for Tetrahydrothebaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrothebaine?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrothebaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.