5-氯-1-甲基-1H-1,3-苯并二唑-2-胺
TL;DR: 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺 (CAS 103748-25-0) is a chemical compound with molecular formula C8H8ClN3 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯-1-甲基-1H-1,3-苯并二唑-2-胺
5-chloro-1-methylbenzimidazol-2-amine
Also Known As: 5-chloro-1-methyl-1H-1,3-benzodiazol-2-amine, 5-Chloro-1-methyl-1H-benzimidazol-2-amine, 5-chloro-1-methylbenzimidazol-2-amine, 5-Chloro-1-methyl-2-aminobenzimidazole, 1H-Benzimidazol-2-amine,5-chloro-1-methyl-(9CI)
| Molecular Formula | C8H8ClN3 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.04068 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 103748-25-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Cl)N=C1N |
| InChIKey | QZDYOBDSZXQLIW-UHFFFAOYSA-N |
Product Overview
5-氯-1-甲基-1H-1,3-苯并二唑-2-胺 (CAS 103748-25-0), with molecular formula C8H8ClN3 and molecular weight 181.04 g/mol. IUPAC: 5-chloro-1-methylbenzimidazol-2-amine.
Chemical Property Profile of 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺
Property Insights of 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺. With a topological polar surface area (TPSA) of 43.8 Ų, 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺?
The CAS number of 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺 is 103748-25-0.
What is the molecular formula of 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺?
The molecular formula of 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺 is C8H8ClN3.
What is the molecular weight of 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺?
The molecular weight of 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺 is 181.04 g/mol.
Where can I buy 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺?
You can request a quote for 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-1-甲基-1H-1,3-苯并二唑-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.