compound 1 (PMID: 25408830)
TL;DR: compound 1 (PMID: 25408830) (CAS 797770-01-5) is a chemical compound with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
Also Known As: Compound 1, 4uyd, ChemDiv2_002770, BAS 08314227, compound 1 [PMID: 25408830]
| Molecular Formula | C10H11N3O2 |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | -0.0241 |
| Topological Polar Surface Area | 70.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.08513 |
| Heavy Atoms | 15 |
| Complexity | 606.8904 |
Chemical Identifiers
| CAS Number | 797770-01-5 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)N)N(C1=O)C |
Product Overview
compound 1 (PMID: 25408830) (CAS 797770-01-5), with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol. IUPAC: 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide.
Chemical Property Profile of compound 1 (PMID: 25408830)
Property Insights of compound 1 (PMID: 25408830)
The XLogP value of -0.0241 indicates that compound 1 (PMID: 25408830) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.02 Ų falls within the moderate polarity range, balancing permeability and solubility for compound 1 (PMID: 25408830). Following Lipinski's Rule of Five, compound 1 (PMID: 25408830) has 1 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 compound 1 (PMID: 25408830)?
The CAS number of compound 1 (PMID: 25408830) is 797770-01-5.
What is the molecular formula of compound 1 (PMID: 25408830)?
The molecular formula of compound 1 (PMID: 25408830) is C10H11N3O2.
What is the molecular weight of compound 1 (PMID: 25408830)?
The molecular weight of compound 1 (PMID: 25408830) is 205.09 g/mol.
Where can I buy compound 1 (PMID: 25408830)?
You can request a quote for compound 1 (PMID: 25408830) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for compound 1 (PMID: 25408830)?
Yes, KEHONG BIO provides custom synthesis services for compound 1 (PMID: 25408830) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.