RefChem:1063094
TL;DR: RefChem:1063094 (CAS 53757-98-5) is a chemical compound with molecular formula C15H19ClFNO and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,10S)-6-fluoro-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-ol chloride
Also Known As: Benz(a)azulen-6,9-imin-10-ol, 4b,5,6,7,8,9,9a,10-octahydro-2-fluoro-11-methyl-, hydrochloride, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha,10-beta))-, 2-Fluoro-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulen-10-ol--hydrogen chloride (1/1), BENZ(a)AZULEN-6,9-IMIN-10-OL, 4b,5,6,7,8,9,9a,10-OCTAHYDRO-2-FLUORO-11-METHYL-,, RefChem:1063094
| Molecular Formula | C15H19ClFNO |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | -1.97 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 283.11392 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 53757-98-5 |
|---|---|
| SMILES | C[NH+]1C2CCC1[C@@H]3[C@H](C2)C4=C([C@H]3O)C=C(C=C4)F.[Cl-] |
| InChIKey | DAVZSUQXAKKONP-SYNWZPMQSA-N |
Product Overview
RefChem:1063094 (CAS 53757-98-5), with molecular formula C15H19ClFNO and molecular weight 283.11 g/mol. IUPAC: (2S,3S,10S)-6-fluoro-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-ol chloride.
Chemical Property Profile of RefChem:1063094
Property Insights of RefChem:1063094
The XLogP value of -1.97 indicates that RefChem:1063094 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.7 Ų, RefChem:1063094 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1063094 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 RefChem:1063094?
The CAS number of RefChem:1063094 is 53757-98-5.
What is the molecular formula of RefChem:1063094?
The molecular formula of RefChem:1063094 is C15H19ClFNO.
What is the molecular weight of RefChem:1063094?
The molecular weight of RefChem:1063094 is 283.11 g/mol.
Where can I buy RefChem:1063094?
You can request a quote for RefChem:1063094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063094?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.