4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline
TL;DR: 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline (CAS 141245-78-5) is a chemical compound with molecular formula C13H10ClN3 and molecular weight 243.05632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chloro-1H-benzimidazol-2-yl)aniline
Also Known As: 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline, 4-(4-chloro-1H-benzimidazol-2-yl)aniline, BAS 00119046, 4-(7-chloro-1H-benzimidazol-2-yl)aniline, 4-(4-Chloro-1H-benzoimidazol-2-yl)-phenylamine
Technical Specifications
| Molecular Formula | C13H10ClN3 |
| Molecular Weight | 243.05632 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.05632 Da |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
| SMILES | C1=CC2=C(C(=C1)Cl)N=C(N2)C3=CC=C(C=C3)N |
| InChIKey | OYRGQZGEESTQIV-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline
Property Insights of 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline
The XLogP value of 3.0 indicates that 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline 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
What is the CAS number of 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline?
The CAS number of 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline is 141245-78-5.
What is the molecular formula of 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline?
The molecular formula of 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline is C13H10ClN3.
What is the molecular weight of 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline?
The molecular weight of 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline is 243.05632 g/mol.
Where can I buy 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline?
You can request a quote for 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline?
Yes, CoreyChem provides custom synthesis services for 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.