1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate
TL;DR: 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate (CAS 42927-05-9) is a chemical compound with molecular formula C19H22N4O7S and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol;methanesulfonic acid
Also Known As: 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate, 1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol; methanesulfonic acid, Methanesulfonic acid--1,4-bis(1H-1,3-benzimidazol-2-yl)butane-1,2,3,4-tetrol (1/1)
| Molecular Formula | C19H22N4O7S |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 0.432 |
| Topological Polar Surface Area | 192.65 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.1209 |
| Heavy Atoms | 31 |
| Complexity | 1112.493 |
Chemical Identifiers
| CAS Number | 42927-05-9 |
|---|---|
| SMILES | CS(=O)(=O)O.C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C3=NC4=CC=CC=C4N3)O)O)O)O |
Product Overview
1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate (CAS 42927-05-9), with molecular formula C19H22N4O7S and molecular weight 450.12 g/mol. IUPAC: 1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol;methanesulfonic acid.
Chemical Property Profile of 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate
Property Insights of 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate
The XLogP value of 0.432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate. The TPSA of 192.65 Ų indicates high polarity, suggesting 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate?
The CAS number of 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate is 42927-05-9.
What is the molecular formula of 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate?
The molecular formula of 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate is C19H22N4O7S.
What is the molecular weight of 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate?
The molecular weight of 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate is 450.12 g/mol.
Where can I buy 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate?
You can request a quote for 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.