C6H8F4Cl2N4OS
TL;DR: C6H8F4Cl2N4OS (CAS 100482-82-4) is a chemical compound with molecular formula C6H7Cl2F4N3OS and molecular weight 314.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]thiourea
Also Known As: (3E)-1-amino-3-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difl, 4-Chloro-4,4-difluoro-3-hydroxy-3-(chlorodifluoromethyl)butyraldehyde thiosemicarbazone, Butyraldehyde, 4-chloro-4,4-difluoro-3-hydroxy-3-(chlorodifluoromethyl)-, thiosemicarbazone
| Molecular Formula | C6H7Cl2F4N3OS |
|---|---|
| Molecular Weight | 314.96 g/mol |
| LogP | 1.5898 |
| Topological Polar Surface Area | 70.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.9623 |
| Heavy Atoms | 17 |
| Complexity | 303.36282 |
Chemical Identifiers
| CAS Number | 100482-82-4 |
|---|---|
| SMILES | C(C=NC(=S)NN)C(C(F)(F)Cl)(C(F)(F)Cl)O |
Product Overview
C6H8F4Cl2N4OS (CAS 100482-82-4), with molecular formula C6H7Cl2F4N3OS and molecular weight 314.96 g/mol. IUPAC: 1-amino-3-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]thiourea.
Chemical Property Profile of C6H8F4Cl2N4OS
Property Insights of C6H8F4Cl2N4OS
The XLogP value of 1.5898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C6H8F4Cl2N4OS. The TPSA of 70.64 Ų falls within the moderate polarity range, balancing permeability and solubility for C6H8F4Cl2N4OS. Following Lipinski's Rule of Five, C6H8F4Cl2N4OS has 3 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 C6H8F4Cl2N4OS?
The CAS number of C6H8F4Cl2N4OS is 100482-82-4.
What is the molecular formula of C6H8F4Cl2N4OS?
The molecular formula of C6H8F4Cl2N4OS is C6H7Cl2F4N3OS.
What is the molecular weight of C6H8F4Cl2N4OS?
The molecular weight of C6H8F4Cl2N4OS is 314.96 g/mol.
Where can I buy C6H8F4Cl2N4OS?
You can request a quote for C6H8F4Cl2N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C6H8F4Cl2N4OS?
Yes, KEHONG BIO provides custom synthesis services for C6H8F4Cl2N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.