5-25-09-00242 (Beilstein Handbook Reference)
TL;DR: 5-25-09-00242 (Beilstein Handbook Reference) (CAS 72020-20-3) is a chemical compound with molecular formula C18H19N3O6S and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethyl]-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)-, 7-(Aminosulfonyl)-1-(2-(3,4-dimethoxyphenyl)ethyl)-1H-benzimidazole-5-carboxylic acid, 1-[2-(3,4-dimethoxyphenyl)ethyl]-7-sulfamoylbenzimidazole-5-carboxylic acid, 1-[2-(3,4-dimethoxyphenyl)ethyl]-7-sulfamoylbenzo[d]imidazole-5-carboxylic acid
| Molecular Formula | C18H19N3O6S |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 1.6418 |
| Topological Polar Surface Area | 133.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.09946 |
| Heavy Atoms | 28 |
| Complexity | 1153.5825 |
Chemical Identifiers
| CAS Number | 72020-20-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C=NC3=C2C(=CC(=C3)C(=O)O)S(=O)(=O)N)OC |
Product Overview
5-25-09-00242 (Beilstein Handbook Reference) (CAS 72020-20-3), with molecular formula C18H19N3O6S and molecular weight 405.10 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-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 1.6418 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 72020-20-3.
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 C18H19N3O6S.
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 405.10 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.