Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester
TL;DR: Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester (CAS 105633-24-7) is a chemical compound with molecular formula C10H12ClN3O2 and molecular weight 241.0618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[2-(2-chloroethylimino)hydrazinyl]benzoate
Also Known As: Cystargin, NIOSH/DG5050000, 3-Chloroethyl-1-(p-methoxycarbonylphenyl)triazene, Methyl 4-(3-(2-chloroethyl)-1-triazenyl)benzoate, Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester
Technical Specifications
| Molecular Formula | C10H12ClN3O2 |
| Molecular Weight | 241.0618 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 241.0618 Da |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)NN=NCCCl |
| InChIKey | CNHWBBKWQQMWEC-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester
Property Insights of Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester has 1 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-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester?
The CAS number of Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester is 105633-24-7.
What is the molecular formula of Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester?
The molecular formula of Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester is C10H12ClN3O2.
What is the molecular weight of Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester?
The molecular weight of Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester is 241.0618 g/mol.
Where can I buy Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester?
You can request a quote for Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-(3-(2-chloroethyl)-1-triazenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.