RefChem:331429
TL;DR: RefChem:331429 (CAS 1164-74-5) is a chemical compound with molecular formula C20H31Cl2FN2O and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(9-methyl-3,9-diazoniaspiro[5.5]undecan-3-yl)butan-1-one dichloride
Also Known As: Butyrophenone, 4'-fluoro-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)-, dihydrochloride, 4'-Fluoro-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)butyrophenone dihydrochloride, 1-(4-fluorophenyl)-4-(3-methyl-3,9-diazoniaspiro[5.5]undecan-9-yl)butan-1-one dichloride, RefChem:331429
| Molecular Formula | C20H31Cl2FN2O |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | -5.23 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.17975 |
| Heavy Atoms | 26 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 1164-74-5 |
|---|---|
| SMILES | C[NH+]1CCC2(CC1)CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F.[Cl-].[Cl-] |
| InChIKey | MHPSVUBTALLMNU-UHFFFAOYSA-N |
Product Overview
RefChem:331429 (CAS 1164-74-5), with molecular formula C20H31Cl2FN2O and molecular weight 404.18 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(9-methyl-3,9-diazoniaspiro[5.5]undecan-3-yl)butan-1-one dichloride.
Chemical Property Profile of RefChem:331429
Property Insights of RefChem:331429
The XLogP value of -5.23 indicates that RefChem:331429 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.0 Ų, RefChem:331429 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331429 has 2 hydrogen bond donor(s) and 4 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:331429?
The CAS number of RefChem:331429 is 1164-74-5.
What is the molecular formula of RefChem:331429?
The molecular formula of RefChem:331429 is C20H31Cl2FN2O.
What is the molecular weight of RefChem:331429?
The molecular weight of RefChem:331429 is 404.18 g/mol.
Where can I buy RefChem:331429?
You can request a quote for RefChem:331429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331429?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.