RefChem:1063095
TL;DR: RefChem:1063095 (CAS 53758-02-4) is a chemical compound with molecular formula C15H19ClFN and molecular weight 267.12 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-triene chloride
Also Known As: Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-2-fluoro-11-methyl-, hydrochloride, (4bS-(4b-alpha,6-beta,9-beta,9a-alpha))-, 2-Fluoro-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene--hydrogen chloride (1/1), BENZ(a)AZULEN-6,9-IMINE, 4b,5,6,7,8,9,9a,10-OCTAHYDRO-2-FLUORO-11-METHYL-, HYDRO, RefChem:1063095
| Molecular Formula | C15H19ClFN |
|---|---|
| Molecular Weight | 267.12 g/mol |
| LogP | -1.46 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.11902 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 53758-02-4 |
|---|---|
| SMILES | C[NH+]1C2CCC1[C@H]3CC4=C([C@H]3C2)C=CC(=C4)F.[Cl-] |
| InChIKey | ONAYRCCCIHMAGX-VVNYJQLFSA-N |
Product Overview
RefChem:1063095 (CAS 53758-02-4), with molecular formula C15H19ClFN and molecular weight 267.12 g/mol. IUPAC: (2S,10S)-6-fluoro-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene chloride.
Chemical Property Profile of RefChem:1063095
Property Insights of RefChem:1063095
The XLogP value of -1.46 indicates that RefChem:1063095 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:1063095 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1063095 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:1063095?
The CAS number of RefChem:1063095 is 53758-02-4.
What is the molecular formula of RefChem:1063095?
The molecular formula of RefChem:1063095 is C15H19ClFN.
What is the molecular weight of RefChem:1063095?
The molecular weight of RefChem:1063095 is 267.12 g/mol.
Where can I buy RefChem:1063095?
You can request a quote for RefChem:1063095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063095?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.