C16H17BrN2O2.ClH
TL;DR: C16H17BrN2O2.ClH (CAS 94333-53-6) is a chemical compound with molecular formula C16H18BrClN2O2 and molecular weight 384.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-bromo-3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-ium-1-yl)methanone chloride
Also Known As: EINECS 305-032-1, 1-[ carbonyl]-4-methylpiperaziniumchloride, 1-[(7-BROMO-3-HYDROXY-2-NAPHTHYL)CARBONYL]-4-METHYLPIPERAZINIUM CHLORIDE, 1-((7-Bromo-3-hydroxy-2-naphthyl)carbonyl)-4-methylpiperazinium chloride, Piperazine, 1-[(7-bromo-3-hydroxy-2-naphthalenyl)carbonyl]-4-methyl-, monohydrochloride
| Molecular Formula | C16H18BrClN2O2 |
|---|---|
| Molecular Weight | 384.02 g/mol |
| LogP | -1.7176 |
| Topological Polar Surface Area | 44.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.02402 |
| Heavy Atoms | 22 |
| Complexity | 699.85046 |
Chemical Identifiers
| CAS Number | 94333-53-6 |
|---|---|
| SMILES | CN1CC[NH+](CC1)C(=O)C2=C(C=C3C=CC(=CC3=C2)Br)O.[Cl-] |
Product Overview
C16H17BrN2O2.ClH (CAS 94333-53-6), with molecular formula C16H18BrClN2O2 and molecular weight 384.02 g/mol. IUPAC: (7-bromo-3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-ium-1-yl)methanone chloride.
Chemical Property Profile of C16H17BrN2O2.ClH
Property Insights of C16H17BrN2O2.ClH
The XLogP value of -1.7176 indicates that C16H17BrN2O2.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.98 Ų, C16H17BrN2O2.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H17BrN2O2.ClH has 2 hydrogen bond donor(s) and 3 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 C16H17BrN2O2.ClH?
The CAS number of C16H17BrN2O2.ClH is 94333-53-6.
What is the molecular formula of C16H17BrN2O2.ClH?
The molecular formula of C16H17BrN2O2.ClH is C16H18BrClN2O2.
What is the molecular weight of C16H17BrN2O2.ClH?
The molecular weight of C16H17BrN2O2.ClH is 384.02 g/mol.
Where can I buy C16H17BrN2O2.ClH?
You can request a quote for C16H17BrN2O2.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H17BrN2O2.ClH?
Yes, KEHONG BIO provides custom synthesis services for C16H17BrN2O2.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.