BAS 00793685
TL;DR: BAS 00793685 (CAS 394236-98-7) is a chemical compound with molecular formula C26H33ClN2O2S2 and molecular weight 504.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrazole
Also Known As: BAS 00793685, F0755-0086, 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((2,4,6-triisopropylphenyl)sulfonyl)-1H-pyrazole, 4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]-1H-pyrazole, 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrazole
| Molecular Formula | C26H33ClN2O2S2 |
|---|---|
| Molecular Weight | 504.17 g/mol |
| LogP | 7.91174 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.1672 |
| Heavy Atoms | 33 |
| Complexity | 1229.1843 |
Chemical Identifiers
| CAS Number | 394236-98-7 |
|---|---|
| SMILES | CC1=C(C(=NN1S(=O)(=O)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C)SC3=CC=C(C=C3)Cl |
Product Overview
BAS 00793685 (CAS 394236-98-7), with molecular formula C26H33ClN2O2S2 and molecular weight 504.17 g/mol. IUPAC: 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrazole.
Chemical Property Profile of BAS 00793685
Property Insights of BAS 00793685
The XLogP value of 7.91174 indicates that BAS 00793685 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, BAS 00793685 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00793685 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00793685?
The CAS number of BAS 00793685 is 394236-98-7.
What is the molecular formula of BAS 00793685?
The molecular formula of BAS 00793685 is C26H33ClN2O2S2.
What is the molecular weight of BAS 00793685?
The molecular weight of BAS 00793685 is 504.17 g/mol.
Where can I buy BAS 00793685?
You can request a quote for BAS 00793685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00793685?
Yes, KEHONG BIO provides custom synthesis services for BAS 00793685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.