RefChem:305396
TL;DR: RefChem:305396 (CAS 57495-73-5) is a chemical compound with molecular formula C16H20ClNO and molecular weight 277.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,11R,13S)-16-methyl-16-azoniatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-trien-3-one chloride
Also Known As: 5H-Cyclohepta(b)naphthalen-6,9-imin-5-one, 5a,6,7,8,9,10,10a,11-octahydro-12-methyl-, hydrochloride, (5aR-(5a-alpha,6-alpha,9-alpha,10a-alpha))-, 5H-CYCLOHEPTA(b)NAPHTHALEN-6,9-IMIN-5-ONE, 5a,6,7,8,9,10,10a,11-OCTAHYDRO-12-MET, RefChem:305396
| Molecular Formula | C16H20ClNO |
|---|---|
| Molecular Weight | 277.12 g/mol |
| LogP | -1.89 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.12335 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 57495-73-5 |
|---|---|
| SMILES | C[NH+]1[C@H]2CC[C@@H]1[C@H]3[C@@H](C2)CC4=CC=CC=C4C3=O.[Cl-] |
| InChIKey | MGDXTPDCVRWLGB-DHGOQAQZSA-N |
Product Overview
RefChem:305396 (CAS 57495-73-5), with molecular formula C16H20ClNO and molecular weight 277.12 g/mol. IUPAC: (1R,2R,11R,13S)-16-methyl-16-azoniatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-trien-3-one chloride.
Chemical Property Profile of RefChem:305396
Property Insights of RefChem:305396
The XLogP value of -1.89 indicates that RefChem:305396 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, RefChem:305396 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305396 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 RefChem:305396?
The CAS number of RefChem:305396 is 57495-73-5.
What is the molecular formula of RefChem:305396?
The molecular formula of RefChem:305396 is C16H20ClNO.
What is the molecular weight of RefChem:305396?
The molecular weight of RefChem:305396 is 277.12 g/mol.
Where can I buy RefChem:305396?
You can request a quote for RefChem:305396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305396?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.