N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine
TL;DR: N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine (CAS 22506-98-5) is a chemical compound with molecular formula C8H7Cl2N5 and molecular weight 243.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dichloro-1H-benzimidazol-2-yl)guanidine
Also Known As: TOS-BB-1286, N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine, N-(5,6-dichloro-1H-benzimidazol-2-yl)guanidine, 2-(5,6-dichloro-1H-benzimidazol-2-yl)guanidine, 1-(5,6-Dichloro-1H-benzo[d]imidazol-2-yl)guanidine
| Molecular Formula | C8H7Cl2N5 |
|---|---|
| Molecular Weight | 243.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.00784 |
| Heavy Atoms | 15 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 22506-98-5 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)Cl)N=C(N2)N=C(N)N |
| InChIKey | XEBPUCFKEPJQFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine (CAS 22506-98-5), with molecular formula C8H7Cl2N5 and molecular weight 243.01 g/mol. IUPAC: 2-(5,6-dichloro-1H-benzimidazol-2-yl)guanidine.
Chemical Property Profile of N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine
Property Insights of N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine. Following Lipinski's Rule of Five, N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine has 3 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 N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine?
The CAS number of N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine is 22506-98-5.
What is the molecular formula of N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine?
The molecular formula of N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine is C8H7Cl2N5.
What is the molecular weight of N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine?
The molecular weight of N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine is 243.01 g/mol.
Where can I buy N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine?
You can request a quote for N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.