1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)-
TL;DR: 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)- (CAS 66749-04-0) is a chemical compound with molecular formula C20H22ClN and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,12-dimethyl-3-azapentacyclo[10.6.1.01,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene;hydrochloride
Also Known As: 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)-, 2,8-Dimethyl-2,3,8,12b-tetrahydro-1H-3a,8-methanodibenzo[3,4:6,7]cyclohepta[1,2-c]pyrrole--hydrogen chloride (1/1), RefChem:237333
| Molecular Formula | C20H22ClN |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 4.0985 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.14407 |
| Heavy Atoms | 22 |
| Complexity | 741.8774 |
Chemical Identifiers
| CAS Number | 66749-04-0 |
|---|---|
| SMILES | CC12CC3(CN(CC3C4=CC=CC=C41)C)C5=CC=CC=C25.Cl |
Product Overview
1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)- (CAS 66749-04-0), with molecular formula C20H22ClN and molecular weight 311.14 g/mol. IUPAC: 3,12-dimethyl-3-azapentacyclo[10.6.1.01,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene;hydrochloride.
Chemical Property Profile of 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)-
Property Insights of 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)-
The XLogP value of 4.0985 indicates that 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)- has 0 hydrogen bond donor(s) and 1 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 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)-?
The CAS number of 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)- is 66749-04-0.
What is the molecular formula of 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)-?
The molecular formula of 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)- is C20H22ClN.
What is the molecular weight of 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)-?
The molecular weight of 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)- is 311.14 g/mol.
Where can I buy 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)-?
You can request a quote for 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-3a,8-Methanodibenzo(3,4:6,7)cyclohepta(1,2-c)pyrrole, 2,3,8,12b-tetrahydro-2,8-dimethyl-, hydrochloride, (3a-alpha,8-alpha,12b-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.