4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1)
TL;DR: 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1) (CAS 53758-06-8) is a chemical compound with molecular formula C14H18ClN and molecular weight 235.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,10S)-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene chloride
Also Known As: Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-, hydrochloride, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha))-, 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1), BENZ(a)AZULEN-6,9-IMINE, 4b,5,6,7,8,9,9a,10-OCTAHYDRO-, HYDROCHLORIDE, (4bS-(4b-, RefChem:1071747
| Molecular Formula | C14H18ClN |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | -1.56 |
| Topological Polar Surface Area | 16.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.11278 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 53758-06-8 |
|---|---|
| SMILES | C1CC2[C@H]3CC4=CC=CC=C4[C@H]3CC1[NH2+]2.[Cl-] |
| InChIKey | HOMPDPKUQHXIBU-FGJUJJAKSA-N |
Product Overview
4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1) (CAS 53758-06-8), with molecular formula C14H18ClN and molecular weight 235.11 g/mol. IUPAC: (2S,10S)-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene chloride.
Chemical Property Profile of 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1)
Property Insights of 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1)
The XLogP value of -1.56 indicates that 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 16.6 Ų, 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1) has 1 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 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1)?
The CAS number of 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1) is 53758-06-8.
What is the molecular formula of 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1)?
The molecular formula of 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1) is C14H18ClN.
What is the molecular weight of 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1)?
The molecular weight of 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1) is 235.11 g/mol.
Where can I buy 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1)?
You can request a quote for 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.