2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide
TL;DR: 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide (CAS 100562-53-6) is a chemical compound with molecular formula C20H22N8 and molecular weight 374.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)butyl]-3H-benzimidazole-5-carboximidamide
Also Known As: Benzimidazole der., Pentadiamine analog, 1,4-Bis(5-amidino-2-benzimidazolyl)butane, 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide, 1H-Benzimidazole-6-carboximidamide,2,2'-(1,4-butanediyl)bis-
| Molecular Formula | C20H22N8 |
|---|---|
| Molecular Weight | 374.20 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.19675 |
| Heavy Atoms | 28 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 100562-53-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=N)N)NC(=N2)CCCCC3=NC4=C(N3)C=C(C=C4)C(=N)N |
| InChIKey | SNNSTIDDSQUDDO-UHFFFAOYSA-N |
Product Overview
2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide (CAS 100562-53-6), with molecular formula C20H22N8 and molecular weight 374.20 g/mol. IUPAC: 2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)butyl]-3H-benzimidazole-5-carboximidamide.
Chemical Property Profile of 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide
Property Insights of 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide. The TPSA of 157.0 Ų indicates high polarity, suggesting 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide?
The CAS number of 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide is 100562-53-6.
What is the molecular formula of 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide?
The molecular formula of 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide is C20H22N8.
What is the molecular weight of 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide?
The molecular weight of 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide is 374.20 g/mol.
Where can I buy 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide?
You can request a quote for 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(1,4-Butanediyl)bis-1H-benzimidazole-5-carboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.