2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid
TL;DR: 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid (CAS 247128-20-7) is a chemical compound with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid
Also Known As: 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid, 1H-Benzimidazole-6-carboxylic acid, 2-(hydroxymethyl)-, 2-(Hydroxymethyl)-1H-benzo[d]imidazole-6-carboxylic acid, 2-(Hydroxymethyl)-1H-Benzimidazole-6-Carboxylic Acid, 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid
| Molecular Formula | C9H8N2O3 |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.0535 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 247128-20-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)NC(=N2)CO |
| InChIKey | LIBZUTVUUNNXNP-UHFFFAOYSA-N |
Product Overview
2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid (CAS 247128-20-7), with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol. IUPAC: 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid.
Chemical Property Profile of 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid
Property Insights of 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid has 3 hydrogen bond donor(s) and 4 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 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid?
The CAS number of 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid is 247128-20-7.
What is the molecular formula of 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid?
The molecular formula of 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid is C9H8N2O3.
What is the molecular weight of 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid?
The molecular weight of 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid is 192.05 g/mol.
Where can I buy 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid?
You can request a quote for 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.