3T-0811
TL;DR: 3T-0811 (CAS 685107-54-4) is a chemical compound with molecular formula C20H11ClF5N3O2S and molecular weight 487.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-7-[chloro(difluoro)methyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
Also Known As: 3T-0811, 7-[CHLORO(DIFLUORO)METHYL]-3-(PHENYLSULFONYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]PYRAZOLO[1,5-A]PYRIMIDINE, 3-(benzenesulfonyl)-7-(chlorodifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine, 3-(benzenesulfonyl)-7-[chloro(difluoro)methyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine, 7-[chloro(difluoro)methyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl phenyl sulfone
| Molecular Formula | C20H11ClF5N3O2S |
|---|---|
| Molecular Weight | 487.02 g/mol |
| LogP | 5.536 |
| Topological Polar Surface Area | 64.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.01807 |
| Heavy Atoms | 32 |
| Complexity | 1397.6921 |
Chemical Identifiers
| CAS Number | 685107-54-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)Cl)C4=CC=C(C=C4)C(F)(F)F |
Product Overview
3T-0811 (CAS 685107-54-4), with molecular formula C20H11ClF5N3O2S and molecular weight 487.02 g/mol. IUPAC: 3-(benzenesulfonyl)-7-[chloro(difluoro)methyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.
Chemical Property Profile of 3T-0811
Property Insights of 3T-0811
The XLogP value of 5.536 indicates that 3T-0811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3T-0811. Following Lipinski's Rule of Five, 3T-0811 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 3T-0811?
The CAS number of 3T-0811 is 685107-54-4.
What is the molecular formula of 3T-0811?
The molecular formula of 3T-0811 is C20H11ClF5N3O2S.
What is the molecular weight of 3T-0811?
The molecular weight of 3T-0811 is 487.02 g/mol.
Where can I buy 3T-0811?
You can request a quote for 3T-0811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3T-0811?
Yes, KEHONG BIO provides custom synthesis services for 3T-0811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.