ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate
TL;DR: ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate (CAS 339013-68-2) is a chemical compound with molecular formula C13H13ClN2O3 and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-2-oxo-3-prop-2-enylbenzimidazole-1-carboxylate
Also Known As: 7K-543S, ethyl 6-chloro-2-oxo-3-prop-2-enylbenzimidazole-1-carboxylate, ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate, ethyl 6-chloro-2-oxo-3-(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate
| Molecular Formula | C13H13ClN2O3 |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 2.647 |
| Topological Polar Surface Area | 53.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.06146 |
| Heavy Atoms | 19 |
| Complexity | 699.7116 |
Chemical Identifiers
| CAS Number | 339013-68-2 |
|---|---|
| SMILES | CCOC(=O)N1C2=C(C=CC(=C2)Cl)N(C1=O)CC=C |
Product Overview
ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate (CAS 339013-68-2), with molecular formula C13H13ClN2O3 and molecular weight 280.06 g/mol. IUPAC: ethyl 6-chloro-2-oxo-3-prop-2-enylbenzimidazole-1-carboxylate.
Chemical Property Profile of ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate
Property Insights of ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate
The XLogP value of 2.647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate. With a topological polar surface area (TPSA) of 53.23 Ų, ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate has 0 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 ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate?
The CAS number of ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate is 339013-68-2.
What is the molecular formula of ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate?
The molecular formula of ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate is C13H13ClN2O3.
What is the molecular weight of ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate?
The molecular weight of ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate is 280.06 g/mol.
Where can I buy ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate?
You can request a quote for ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-allyl-6-chloro-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.