Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate
TL;DR: Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate (CAS 137987-76-9) is a chemical compound with molecular formula C13H13ClO4 and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate
Also Known As: ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate, Chembrdg-BB 5137792, 1-(2-Pyridyl)-4-nitroimidazole, Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydrobenzofuran-2-carboxylate, BAS 01026369
| Molecular Formula | C13H13ClO4 |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.05023 |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 137987-76-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(O1)CCC(=C2Cl)C=O)C |
| InChIKey | GECMCNWALPGVMC-UHFFFAOYSA-N |
Product Overview
Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate (CAS 137987-76-9), with molecular formula C13H13ClO4 and molecular weight 268.05 g/mol. IUPAC: ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate
Property Insights of Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate. With a topological polar surface area (TPSA) of 56.5 Ų, Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate?
The CAS number of Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate is 137987-76-9.
What is the molecular formula of Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate?
The molecular formula of Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate is C13H13ClO4.
What is the molecular weight of Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate?
The molecular weight of Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate is 268.05 g/mol.
Where can I buy Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate?
You can request a quote for Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.