RefChem:305757
TL;DR: RefChem:305757 (CAS 53651-68-6) is a chemical compound with molecular formula C12H17BrCl2N2 and molecular weight 338.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
Also Known As: 2,6-dimethyl-4-[(e)-phenyldiazenyl]aniline, 1,2,3,4,4a,9b-Hexahydro-8-bromo-2-methyl-5H-pyrido(4,3-b)indole dihydrochloride, 8-bromo-2-methyl-2,3,4,4a,5,9b-hexahydro-1h-pyrido[4,3-b]indole dihydrochloride, 1H-Pyrido(4,3-b)indole, 8-bromo-2,3,4,4a,5,9b-hexahydro-2-methyl-, dihydrochloride, 5H-Pyrido(4,3-b)indole, 1,2,3,4,4a,9b-hexahydro-8-bromo-2-methyl-, dihydrochloride
| Molecular Formula | C12H17BrCl2N2 |
|---|---|
| Molecular Weight | 338.00 g/mol |
| LogP | 3.5059 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 337.9952 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 53651-68-6 |
|---|---|
| SMILES | CN1CCC2C(C1)C3=C(N2)C=CC(=C3)Br.Cl.Cl |
| InChIKey | PNNGCUZZVNFYIO-UHFFFAOYSA-N |
Product Overview
RefChem:305757 (CAS 53651-68-6), with molecular formula C12H17BrCl2N2 and molecular weight 338.00 g/mol. IUPAC: 8-bromo-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;dihydrochloride.
Chemical Property Profile of RefChem:305757
Property Insights of RefChem:305757
The XLogP value of 3.5059 indicates that RefChem:305757 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, RefChem:305757 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305757 has 3 hydrogen bond donor(s) and 2 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 RefChem:305757?
The CAS number of RefChem:305757 is 53651-68-6.
What is the molecular formula of RefChem:305757?
The molecular formula of RefChem:305757 is C12H17BrCl2N2.
What is the molecular weight of RefChem:305757?
The molecular weight of RefChem:305757 is 338.00 g/mol.
Where can I buy RefChem:305757?
You can request a quote for RefChem:305757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305757?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.