RefChem:1073438
TL;DR: RefChem:1073438 (CAS 53797-02-7) is a chemical compound with molecular formula C16H22ClN and molecular weight 263.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,11S)-16-methyl-16-azoniatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-triene chloride
Also Known As: 5H-Cyclohepta(b)naphthalen-6,9-imine, 5a,6,7,8,9,10,10a,11-octahydro-12-methyl-, hydrochloride, (5aR-(5a-alpha,6-alpha,9-alpha,10a-beta))-, 5H-CYCLOHEPTA(b)NAPHTHALEN-6,9-IMINE, 5a,6,7,8,9,10,10a,11-OCTAHYDRO-12-METHYL-,, RefChem:1073438
| Molecular Formula | C16H22ClN |
|---|---|
| Molecular Weight | 263.14 g/mol |
| LogP | -1.53 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.14407 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 53797-02-7 |
|---|---|
| SMILES | C[NH+]1C2CCC1[C@@H]3CC4=CC=CC=C4C[C@H]3C2.[Cl-] |
| InChIKey | PKZWIEKKMRTMJC-SLMONAPUSA-N |
Product Overview
RefChem:1073438 (CAS 53797-02-7), with molecular formula C16H22ClN and molecular weight 263.14 g/mol. IUPAC: (2R,11S)-16-methyl-16-azoniatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-triene chloride.
Chemical Property Profile of RefChem:1073438
Property Insights of RefChem:1073438
The XLogP value of -1.53 indicates that RefChem:1073438 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, RefChem:1073438 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1073438 has 1 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 RefChem:1073438?
The CAS number of RefChem:1073438 is 53797-02-7.
What is the molecular formula of RefChem:1073438?
The molecular formula of RefChem:1073438 is C16H22ClN.
What is the molecular weight of RefChem:1073438?
The molecular weight of RefChem:1073438 is 263.14 g/mol.
Where can I buy RefChem:1073438?
You can request a quote for RefChem:1073438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073438?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.