RefChem:1063096
TL;DR: RefChem:1063096 (CAS 53758-01-3) is a chemical compound with molecular formula C15H17ClFNO and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,10S)-6-fluoro-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one chloride
Also Known As: Benz(a)azulen-6,9-imin-10(4bh)-one, 5,6,7,8,9,9a-hexahydro-2-fluoro-11-methyl-, hydrochloride(4bS-(4b-alpha,6-beta,9-beta, 9a-alpha))-, BENZ(a)AZULEN-6,9-IMIN-10(4bH)-ONE, 5,6,7,8,9,9a-HEXAHYDRO-2-FLUORO-11-METHYL-,, 2-Fluoro-11-methyl-5,6,7,8,9,9a-hexahydro-6,9-epiminobenzo(a)azulen-10(4bH)-one--hydrogen chloride (1/1), RefChem:1063096
| Molecular Formula | C15H17ClFNO |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | -1.82 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.09827 |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 53758-01-3 |
|---|---|
| SMILES | C[NH+]1C2CCC1[C@@H]3[C@H](C2)C4=C(C3=O)C=C(C=C4)F.[Cl-] |
| InChIKey | DQUWRVHVHUFUMY-QAGGGSJQSA-N |
Product Overview
RefChem:1063096 (CAS 53758-01-3), with molecular formula C15H17ClFNO and molecular weight 281.10 g/mol. IUPAC: (2S,10S)-6-fluoro-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one chloride.
Chemical Property Profile of RefChem:1063096
Property Insights of RefChem:1063096
The XLogP value of -1.82 indicates that RefChem:1063096 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:1063096 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1063096 has 1 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 RefChem:1063096?
The CAS number of RefChem:1063096 is 53758-01-3.
What is the molecular formula of RefChem:1063096?
The molecular formula of RefChem:1063096 is C15H17ClFNO.
What is the molecular weight of RefChem:1063096?
The molecular weight of RefChem:1063096 is 281.10 g/mol.
Where can I buy RefChem:1063096?
You can request a quote for RefChem:1063096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063096?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.