Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-
TL;DR: Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)- (CAS 68072-55-9) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoic acid
Also Known As: EINECS 268-349-3, Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-, 4-(3,4-Dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)benzoic acid, 1-(p-Carboxyphenyl)-2-mercapto-4,4,6-trimethyl-1,4-dihydropyrimidine, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1 benzoicacid
| Molecular Formula | C14H16N2O2S |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 2.7617 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.09326 |
| Heavy Atoms | 19 |
| Complexity | 561.3136 |
Chemical Identifiers
| CAS Number | 68072-55-9 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC=C(C=C2)C(=O)O)(C)C |
Product Overview
Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)- (CAS 68072-55-9), with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol. IUPAC: 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-
Property Insights of Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-
The XLogP value of 2.7617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-. With a topological polar surface area (TPSA) of 52.57 Ų, Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)- has 2 hydrogen bond donor(s) and 2 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 Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-?
The CAS number of Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)- is 68072-55-9.
What is the molecular formula of Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-?
The molecular formula of Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)- is C14H16N2O2S.
What is the molecular weight of Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-?
The molecular weight of Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)- is 276.09 g/mol.
Where can I buy Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-?
You can request a quote for Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.