C20H24ClNO.BrH
TL;DR: C20H24ClNO.BrH (CAS 64058-49-7) is a chemical compound with molecular formula C20H25BrClNO and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-methyl-(2-phenylethyl)azanium bromide
Also Known As: 1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-5-methoxy-N-methyl-N-phenethyl-, hydrobromide, (8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-methyl-phenethylazanium bromide, 1-Naphthylamine, 8-chloro-5-methoxy-N-methyl-N-phenethyl-1,2,3,4-tetrahydro-, hydrobromide, 1-Naphthalenamine, 8-chloro-1,2,3,4-tetrahydro-5-methoxy-N-methyl-N-(2-phenylethyl)-, hydrobromide, 8-Chloro-5-methoxy-N-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine--hydrogen bromide (1/1)
| Molecular Formula | C20H25BrClNO |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 0.49 |
| Topological Polar Surface Area | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.0808 |
| Heavy Atoms | 24 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 64058-49-7 |
|---|---|
| SMILES | C[NH+](CCC1=CC=CC=C1)C2CCCC3=C(C=CC(=C23)Cl)OC.[Br-] |
| InChIKey | TWXYZYQXVVFVTQ-UHFFFAOYSA-N |
Product Overview
C20H24ClNO.BrH (CAS 64058-49-7), with molecular formula C20H25BrClNO and molecular weight 409.08 g/mol. IUPAC: (8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-methyl-(2-phenylethyl)azanium bromide.
Chemical Property Profile of C20H24ClNO.BrH
Property Insights of C20H24ClNO.BrH
The XLogP value of 0.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H24ClNO.BrH. With a topological polar surface area (TPSA) of 13.7 Ų, C20H24ClNO.BrH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H24ClNO.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 C20H24ClNO.BrH?
The CAS number of C20H24ClNO.BrH is 64058-49-7.
What is the molecular formula of C20H24ClNO.BrH?
The molecular formula of C20H24ClNO.BrH is C20H25BrClNO.
What is the molecular weight of C20H24ClNO.BrH?
The molecular weight of C20H24ClNO.BrH is 409.08 g/mol.
Where can I buy C20H24ClNO.BrH?
You can request a quote for C20H24ClNO.BrH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H24ClNO.BrH?
Yes, KEHONG BIO provides custom synthesis services for C20H24ClNO.BrH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.