5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine
TL;DR: 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine (CAS 28312-77-8) is a chemical compound with molecular formula C18H20ClN and molecular weight 285.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chloroethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
Also Known As: C(CCl)N1Cc2ccccc2CCc3ccccc3C1, 6H-DIBENZ(c,g)AZONINE, 5,7,12,13-TETRAHYDRO-6-(2-CHLOROETHYL)-, 6-(2-Chloroethyl)-5,7,12,13-tetrahydro-6H-dibenz(c,g)azonine, 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine, 5,7,12,13-tetrahydro-6-6h-dibenz[c,g]azonine
| Molecular Formula | C18H20ClN |
|---|---|
| Molecular Weight | 285.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.12842 |
| Heavy Atoms | 20 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 28312-77-8 |
|---|---|
| SMILES | C1CC2=CC=CC=C2CN(CC3=CC=CC=C31)CCCl |
| InChIKey | QWKQIPXLIGROLQ-UHFFFAOYSA-N |
Product Overview
5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine (CAS 28312-77-8), with molecular formula C18H20ClN and molecular weight 285.13 g/mol. IUPAC: 6-(2-chloroethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine.
Chemical Property Profile of 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine
Property Insights of 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine
The XLogP value of 4.1 indicates that 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine 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 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine?
The CAS number of 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine is 28312-77-8.
What is the molecular formula of 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine?
The molecular formula of 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine is C18H20ClN.
What is the molecular weight of 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine?
The molecular weight of 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine is 285.13 g/mol.
Where can I buy 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine?
You can request a quote for 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine?
Yes, KEHONG BIO provides custom synthesis services for 5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.