1h-Benzimidazole-2-propanoic acid, ethyl ester
TL;DR: 1h-Benzimidazole-2-propanoic acid, ethyl ester (CAS 69901-70-8) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1H-benzimidazol-2-yl)propanoate
Also Known As: Procodazole ethyl ester, ethyl 3-(1H-benzimidazol-2-yl)propanoate, Procodazole-ethyl-ester, 1h-benzimidazole-2-propanoic acid, ethyl ester, Ethyl 2-benzimidazolepropionate
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 69901-70-8 |
|---|---|
| SMILES | CCOC(=O)CCC1=NC2=CC=CC=C2N1 |
| InChIKey | JPJXAIMBLLYVCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1h-Benzimidazole-2-propanoic acid, ethyl ester (CAS 69901-70-8), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: ethyl 3-(1H-benzimidazol-2-yl)propanoate.
Chemical Property Profile of 1h-Benzimidazole-2-propanoic acid, ethyl ester
Property Insights of 1h-Benzimidazole-2-propanoic acid, ethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1h-Benzimidazole-2-propanoic acid, ethyl ester. With a topological polar surface area (TPSA) of 55.0 Ų, 1h-Benzimidazole-2-propanoic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1h-Benzimidazole-2-propanoic acid, ethyl ester has 1 hydrogen bond donor(s) and 3 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 1h-Benzimidazole-2-propanoic acid, ethyl ester?
The CAS number of 1h-Benzimidazole-2-propanoic acid, ethyl ester is 69901-70-8.
What is the molecular formula of 1h-Benzimidazole-2-propanoic acid, ethyl ester?
The molecular formula of 1h-Benzimidazole-2-propanoic acid, ethyl ester is C12H14N2O2.
What is the molecular weight of 1h-Benzimidazole-2-propanoic acid, ethyl ester?
The molecular weight of 1h-Benzimidazole-2-propanoic acid, ethyl ester is 218.11 g/mol.
Where can I buy 1h-Benzimidazole-2-propanoic acid, ethyl ester?
You can request a quote for 1h-Benzimidazole-2-propanoic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1h-Benzimidazole-2-propanoic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1h-Benzimidazole-2-propanoic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.