TQC71TKJ43
TL;DR: TQC71TKJ43 (CAS 6281-59-0) is a chemical compound with molecular formula C14H18N2O3S2 and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid
Also Known As: USAF K-2600, 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(4-methyl-2-sulfophenyl)-4,4,6-trimethyl-, 5-Methyl-2-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)benzenesulfonic acid, Benzenesulfonic acid, 2-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-5-methyl-, 1-(2-Sulfo-4-methylphenyl)-2-thio-4,4,6-trimethyl dihydropyrimidine
| Molecular Formula | C14H18N2O3S2 |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 2.61862 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.0759 |
| Heavy Atoms | 21 |
| Complexity | 736.58606 |
Chemical Identifiers
| CAS Number | 6281-59-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=CC(NC2=S)(C)C)C)S(=O)(=O)O |
Product Overview
TQC71TKJ43 (CAS 6281-59-0), with molecular formula C14H18N2O3S2 and molecular weight 326.08 g/mol. IUPAC: 5-methyl-2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid.
Chemical Property Profile of TQC71TKJ43
Property Insights of TQC71TKJ43
The XLogP value of 2.61862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TQC71TKJ43. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for TQC71TKJ43. Following Lipinski's Rule of Five, TQC71TKJ43 has 2 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 TQC71TKJ43?
The CAS number of TQC71TKJ43 is 6281-59-0.
What is the molecular formula of TQC71TKJ43?
The molecular formula of TQC71TKJ43 is C14H18N2O3S2.
What is the molecular weight of TQC71TKJ43?
The molecular weight of TQC71TKJ43 is 326.08 g/mol.
Where can I buy TQC71TKJ43?
You can request a quote for TQC71TKJ43 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TQC71TKJ43?
Yes, KEHONG BIO provides custom synthesis services for TQC71TKJ43 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.