Methyl 5-chloro-3-methylbenzofuran-2-carboxylate
TL;DR: Methyl 5-chloro-3-methylbenzofuran-2-carboxylate (CAS 91398-63-9) is a chemical compound with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
Also Known As: METHYL 5-CHLORO-3-METHYLBENZOFURAN-2-CARBOXYLATE, methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate, BAS 02137342, 5-Chloro-3-methyl-benzofuran-2-carboxylic acid methyl ester, methyl 5-chloro-3-methylbenzo[d]furan-2-carboxylate
| Molecular Formula | C11H9ClO3 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 3.18122 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.02402 |
| Heavy Atoms | 15 |
| Complexity | 527.8577 |
Chemical Identifiers
| CAS Number | 91398-63-9 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OC |
Product Overview
Methyl 5-chloro-3-methylbenzofuran-2-carboxylate (CAS 91398-63-9), with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol. IUPAC: methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate.
Chemical Property Profile of Methyl 5-chloro-3-methylbenzofuran-2-carboxylate
Property Insights of Methyl 5-chloro-3-methylbenzofuran-2-carboxylate
The XLogP value of 3.18122 indicates that Methyl 5-chloro-3-methylbenzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.44 Ų, Methyl 5-chloro-3-methylbenzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-chloro-3-methylbenzofuran-2-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 Methyl 5-chloro-3-methylbenzofuran-2-carboxylate?
The CAS number of Methyl 5-chloro-3-methylbenzofuran-2-carboxylate is 91398-63-9.
What is the molecular formula of Methyl 5-chloro-3-methylbenzofuran-2-carboxylate?
The molecular formula of Methyl 5-chloro-3-methylbenzofuran-2-carboxylate is C11H9ClO3.
What is the molecular weight of Methyl 5-chloro-3-methylbenzofuran-2-carboxylate?
The molecular weight of Methyl 5-chloro-3-methylbenzofuran-2-carboxylate is 224.02 g/mol.
Where can I buy Methyl 5-chloro-3-methylbenzofuran-2-carboxylate?
You can request a quote for Methyl 5-chloro-3-methylbenzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-chloro-3-methylbenzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-chloro-3-methylbenzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.