vinyl tridecafluorohexyl sulfone
TL;DR: vinyl tridecafluorohexyl sulfone (CAS 6802-17-1) is a chemical compound with molecular formula C24H21ClN4O3 and molecular weight 448.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Also Known As: vinyl tridecafluorohexyl sulfone, N-[(2H-1,3-Benzodioxol-5-yl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide, N-(BENZO[1,3]DIOXOL-5-YLMETHYL)-3-[(3-CHLOROPHENYL)METHYL]-2,4-DIMETHYL-1,5,9-TRIAZABICYCLO[4.3.0]NONA-2,4,6,8-TETRAENE-7-CARBOXAMIDE
| Molecular Formula | C24H21ClN4O3 |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 4.24904 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.13022 |
| Heavy Atoms | 32 |
| Complexity | 1348.8296 |
Chemical Identifiers
| CAS Number | 6802-17-1 |
|---|---|
| SMILES | CC1=C(C(=NC2=C(C=NN12)C(=O)NCC3=CC4=C(C=C3)OCO4)C)CC5=CC(=CC=C5)Cl |
Product Overview
vinyl tridecafluorohexyl sulfone (CAS 6802-17-1), with molecular formula C24H21ClN4O3 and molecular weight 448.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
Chemical Property Profile of vinyl tridecafluorohexyl sulfone
Property Insights of vinyl tridecafluorohexyl sulfone
The XLogP value of 4.24904 indicates that vinyl tridecafluorohexyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.75 Ų falls within the moderate polarity range, balancing permeability and solubility for vinyl tridecafluorohexyl sulfone. Following Lipinski's Rule of Five, vinyl tridecafluorohexyl sulfone has 1 hydrogen bond donor(s) and 5 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 vinyl tridecafluorohexyl sulfone?
The CAS number of vinyl tridecafluorohexyl sulfone is 6802-17-1.
What is the molecular formula of vinyl tridecafluorohexyl sulfone?
The molecular formula of vinyl tridecafluorohexyl sulfone is C24H21ClN4O3.
What is the molecular weight of vinyl tridecafluorohexyl sulfone?
The molecular weight of vinyl tridecafluorohexyl sulfone is 448.13 g/mol.
Where can I buy vinyl tridecafluorohexyl sulfone?
You can request a quote for vinyl tridecafluorohexyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for vinyl tridecafluorohexyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for vinyl tridecafluorohexyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.