11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene
TL;DR: 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene (CAS 57458-46-5) is a chemical compound with molecular formula C15H19N and molecular weight 213.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,10S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene
Also Known As: Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a-octahydro-11-methyl-, (4bR-(4b-alpha,6-beta,9-beta,9a-alpha))-, 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene, 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo[a]azulene, (4bS,9aS)-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo[a]azulene, BENZ(a)AZULEN-6,9-IMINE, 4b,5,6,7,8,9,9a-OCTAHYDRO-11-METHYL-, (4bR-(4b-alpha,6-
| Molecular Formula | C15H19N |
|---|---|
| Molecular Weight | 213.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.15175 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 57458-46-5 |
|---|---|
| SMILES | CN1C2CCC1[C@H]3CC4=CC=CC=C4[C@H]3C2 |
| InChIKey | DQOCUOSYTMEEEY-YTELLUSKSA-N |
Product Overview
11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene (CAS 57458-46-5), with molecular formula C15H19N and molecular weight 213.15 g/mol. IUPAC: (2S,10S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene.
Chemical Property Profile of 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene
Property Insights of 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene
The XLogP value of 3.1 indicates that 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene 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 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene?
The CAS number of 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene is 57458-46-5.
What is the molecular formula of 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene?
The molecular formula of 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene is C15H19N.
What is the molecular weight of 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene?
The molecular weight of 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene is 213.15 g/mol.
Where can I buy 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene?
You can request a quote for 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene?
Yes, KEHONG BIO provides custom synthesis services for 11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.