Benzoic acid der.
TL;DR: Benzoic acid der. (CAS 165391-81-1) is a chemical compound with molecular formula C17H18ClNO3S and molecular weight 351.06958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate
Also Known As: Benzoic acid der., UC68, UC 68, NCI60_012892, BENZOIC ACID, 2-METHYLPROPYL ESTER
Technical Specifications
| Molecular Formula | C17H18ClNO3S |
| Molecular Weight | 351.06958 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.06958 Da |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
| SMILES | CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OCC(C)C |
| InChIKey | RAVQXTOXTZWMKS-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid der.
Property Insights of Benzoic acid der.
The XLogP value of 4.6 indicates that Benzoic acid der. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid der.. Following Lipinski's Rule of Five, Benzoic acid der. has 1 hydrogen bond donor(s) and 4 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 der.?
The CAS number of Benzoic acid der. is 165391-81-1.
What is the molecular formula of Benzoic acid der.?
The molecular formula of Benzoic acid der. is C17H18ClNO3S.
What is the molecular weight of Benzoic acid der.?
The molecular weight of Benzoic acid der. is 351.06958 g/mol.
Where can I buy Benzoic acid der.?
You can request a quote for Benzoic acid der. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid der.?
Yes, CoreyChem provides custom synthesis services for Benzoic acid der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.