Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide
TL;DR: Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide (CAS 106733-81-7) is a chemical compound with molecular formula C14H18N2O4S and molecular weight 310.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1E,3E)-2-methyl-4-[2-(4-methylbenzoyl)hydrazinyl]penta-1,3-diene-1-sulfonic acid
Also Known As: Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide, (1E,3E)-2-methyl-4-[2-(4-methylbenzoyl)hydrazinyl]penta-1,3-diene-1-sulfonic Acid
Technical Specifications
| Molecular Formula | C14H18N2O4S |
| Molecular Weight | 310.09872 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.09872 Da |
| Heavy Atoms | 21 |
| Complexity | 524.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)NN/C(=C/C(=C/S(=O)(=O)O)/C)/C |
| InChIKey | MWWBQSZSTNINRZ-FYDMFQIUSA-N |
Chemical Property Profile of Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide
Property Insights of Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide. Following Lipinski's Rule of Five, Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide?
The CAS number of Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide is 106733-81-7.
What is the molecular formula of Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide?
The molecular formula of Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide is C14H18N2O4S.
What is the molecular weight of Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide?
The molecular weight of Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide is 310.09872 g/mol.
Where can I buy Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide?
You can request a quote for Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.