![3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid structure](/static/products/1348/134892-35-6.webp)
3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid
TL;DR: 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid (CAS 134892-35-6) is a chemical compound with molecular formula C10H8Cl2N2O2 and molecular weight 257.99628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dichloro-2-(2-cyanoethylamino)benzoic acid
Also Known As: 3,5-dichloro-2-[(2-cyanoethyl)amino]benzoic acid, BAS 00327418, 3,5-dichloro-2-(2-cyanoethylamino)benzoic acid, 3,5-dichloro-2-((2-cyanoethyl)amino)benzoic acid, 3,5-Dichloro-2-(2-cyano-ethylamino)-benzoic acid
Technical Specifications
| Molecular Formula | C10H8Cl2N2O2 |
| Molecular Weight | 257.99628 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.99628 Da |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
| SMILES | C1=C(C=C(C(=C1C(=O)O)NCCC#N)Cl)Cl |
| InChIKey | LWBPLKBRCDUCRM-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid
Property Insights of 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid has 2 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 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid?
The CAS number of 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid is 134892-35-6.
What is the molecular formula of 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid?
The molecular formula of 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid is C10H8Cl2N2O2.
What is the molecular weight of 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid?
The molecular weight of 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid is 257.99628 g/mol.
Where can I buy 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid?
You can request a quote for 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Dichloro-2-[(2-cyanoethyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.