C13H17Cl2NO.BrH
TL;DR: C13H17Cl2NO.BrH (CAS 64058-46-4) is a chemical compound with molecular formula C13H18BrCl2NO and molecular weight 352.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium bromide
Also Known As: 1-Naphthylamine, 1,2,3,4-tetrahydro-6,8-dichloro-N,N-dimethyl-5-methoxy-, hydrobromide, (6,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium bromide, 1-Naphthylamine, 6,8-dichloro-N,N-dimethyl-5-methoxy-1,2,3,4-tetrahydro-, hydrobromide, 1-Naphthalenamine, 6,8-dichloro-1,2,3,4-tetrahydro-5-methoxy-N,N-dimethyl-, hydrobromide, 6,8-Dichloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine--hydrogen bromide (1/1)
| Molecular Formula | C13H18BrCl2NO |
|---|---|
| Molecular Weight | 352.99 g/mol |
| LogP | -0.47 |
| Topological Polar Surface Area | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.99487 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 64058-46-4 |
|---|---|
| SMILES | C[NH+](C)C1CCCC2=C1C(=CC(=C2OC)Cl)Cl.[Br-] |
| InChIKey | HVHQJAWEIYUNSQ-UHFFFAOYSA-N |
Product Overview
C13H17Cl2NO.BrH (CAS 64058-46-4), with molecular formula C13H18BrCl2NO and molecular weight 352.99 g/mol. IUPAC: (6,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium bromide.
Chemical Property Profile of C13H17Cl2NO.BrH
Property Insights of C13H17Cl2NO.BrH
The XLogP value of -0.47 indicates that C13H17Cl2NO.BrH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 13.7 Ų, C13H17Cl2NO.BrH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H17Cl2NO.BrH has 1 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 C13H17Cl2NO.BrH?
The CAS number of C13H17Cl2NO.BrH is 64058-46-4.
What is the molecular formula of C13H17Cl2NO.BrH?
The molecular formula of C13H17Cl2NO.BrH is C13H18BrCl2NO.
What is the molecular weight of C13H17Cl2NO.BrH?
The molecular weight of C13H17Cl2NO.BrH is 352.99 g/mol.
Where can I buy C13H17Cl2NO.BrH?
You can request a quote for C13H17Cl2NO.BrH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H17Cl2NO.BrH?
Yes, KEHONG BIO provides custom synthesis services for C13H17Cl2NO.BrH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.