5-25-09-00242 (Beilstein Handbook Reference)
TL;DR: 5-25-09-00242 (Beilstein Handbook Reference) (CAS 72020-26-9) is a chemical compound with molecular formula C19H21N3O6S and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-7-sulfamoylbenzimidazole-5-carboxylic acid
Also Known As: 5-25-09-00242 (Beilstein Handbook Reference), 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-(2-(3,4-dimethoxyphenyl)ethyl)-2-methyl-, 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-7-sulfamoylbenzimidazole-5-carboxylic acid, 1-[2-(3,4-Dimethoxyphenyl)ethyl]-2-methyl-7-sulfamoyl-1H-1,3-benzimidazole-5-carboxylic acid, BRN 0946796
| Molecular Formula | C19H21N3O6S |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 1.95022 |
| Topological Polar Surface Area | 133.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.1151 |
| Heavy Atoms | 29 |
| Complexity | 1200.3651 |
Chemical Identifiers
| CAS Number | 72020-26-9 |
|---|---|
| SMILES | CC1=NC2=C(N1CCC3=CC(=C(C=C3)OC)OC)C(=CC(=C2)C(=O)O)S(=O)(=O)N |
Product Overview
5-25-09-00242 (Beilstein Handbook Reference) (CAS 72020-26-9), with molecular formula C19H21N3O6S and molecular weight 419.12 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-7-sulfamoylbenzimidazole-5-carboxylic acid.
Chemical Property Profile of 5-25-09-00242 (Beilstein Handbook Reference)
Property Insights of 5-25-09-00242 (Beilstein Handbook Reference)
The XLogP value of 1.95022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-25-09-00242 (Beilstein Handbook Reference). The TPSA of 133.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-09-00242 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-09-00242 (Beilstein Handbook Reference) has 2 hydrogen bond donor(s) and 6 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 5-25-09-00242 (Beilstein Handbook Reference)?
The CAS number of 5-25-09-00242 (Beilstein Handbook Reference) is 72020-26-9.
What is the molecular formula of 5-25-09-00242 (Beilstein Handbook Reference)?
The molecular formula of 5-25-09-00242 (Beilstein Handbook Reference) is C19H21N3O6S.
What is the molecular weight of 5-25-09-00242 (Beilstein Handbook Reference)?
The molecular weight of 5-25-09-00242 (Beilstein Handbook Reference) is 419.12 g/mol.
Where can I buy 5-25-09-00242 (Beilstein Handbook Reference)?
You can request a quote for 5-25-09-00242 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-09-00242 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-09-00242 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.