RefChem:1053307
TL;DR: RefChem:1053307 (CAS 51787-76-9) is a chemical compound with molecular formula C23H28ClF2NO3 and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1,1-bis(4-fluorophenyl)butan-1-ol chloride
Also Known As: 1,4-Dioxa-8-azaspiro(4.5)decane-8-butanol, alpha,alpha-bis(4-fluorophenyl)-, hydrochloride, 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1,1-bis(4-fluorophenyl)butan-1-ol chloride, 8-(4,4-Bis(4-fluorophenyl)-4-hydroxybutyl)-1,4-dioxa-8-azaspiro(4.5)decane hydrochloride, alpha,alpha-Bis(4-fluorophenyl)-1,4-dioxa-8-azaspiro(4.5)decane-8-butanol hydrochloride, 1,4-Dioxa-8-azaspiro(4.5)decane-8-butanol, alpha,alpha-bis(4-fluorophenyl)-, hydrochloride (1:1)
| Molecular Formula | C23H28ClF2NO3 |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | -0.59 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.17258 |
| Heavy Atoms | 30 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 51787-76-9 |
|---|---|
| SMILES | C1C[NH+](CCC12OCCO2)CCCC(C3=CC=C(C=C3)F)(C4=CC=C(C=C4)F)O.[Cl-] |
| InChIKey | CKSPFAGBXFEQSV-UHFFFAOYSA-N |
Product Overview
RefChem:1053307 (CAS 51787-76-9), with molecular formula C23H28ClF2NO3 and molecular weight 439.17 g/mol. IUPAC: 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1,1-bis(4-fluorophenyl)butan-1-ol chloride.
Chemical Property Profile of RefChem:1053307
Property Insights of RefChem:1053307
The XLogP value of -0.59 indicates that RefChem:1053307 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.1 Ų, RefChem:1053307 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053307 has 2 hydrogen bond donor(s) and 6 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:1053307?
The CAS number of RefChem:1053307 is 51787-76-9.
What is the molecular formula of RefChem:1053307?
The molecular formula of RefChem:1053307 is C23H28ClF2NO3.
What is the molecular weight of RefChem:1053307?
The molecular weight of RefChem:1053307 is 439.17 g/mol.
Where can I buy RefChem:1053307?
You can request a quote for RefChem:1053307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053307?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.