4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺
TL;DR: 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺 (CAS 68254-43-3) is a chemical compound with molecular formula C7H11N3 and molecular weight 137.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺
4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
Also Known As: 4,5,6,7-Tetrahydro-1H-benzo[d]imidazol-5-amine, 4,5,6,7-tetrahydro-3H-benzimidazol-5-amine, 4,5,6,7-Tetrahydro-1H-benzo[d]imidazol-6-amine, 4,5,6,7-tetrahydro-1H-1,3-benzodiazol-5-amine, 5-Amino-4,5,6,7-tetrahydrobenzimidazole
| Molecular Formula | C7H11N3 |
|---|---|
| Molecular Weight | 137.10 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.09529 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 68254-43-3 |
|---|---|
| SMILES | C1CC2=C(CC1N)NC=N2 |
| InChIKey | XPJLVDOGXOROPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺 (CAS 68254-43-3), with molecular formula C7H11N3 and molecular weight 137.10 g/mol. IUPAC: 4,5,6,7-tetrahydro-3H-benzimidazol-5-amine.
Chemical Property Profile of 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺
Property Insights of 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺
The XLogP value of -0.1 indicates that 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.7 Ų, 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺 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
Frequently Asked Questions
What is the CAS number of 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺?
The CAS number of 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺 is 68254-43-3.
What is the molecular formula of 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺?
The molecular formula of 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺 is C7H11N3.
What is the molecular weight of 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺?
The molecular weight of 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺 is 137.10 g/mol.
Where can I buy 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺?
You can request a quote for 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-四氢-1H-1,3-苯并二唑-5-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.