ChemDiv1_006337
TL;DR: ChemDiv1_006337 (CAS 315237-24-2) is a chemical compound with molecular formula C18H21BrO6 and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_006337, ETHYL 6-BROMO-5-[2-(TERT-BUTOXY)-2-OXOETHOXY]-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE, F0821-0396, ethyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate, ethyl 6-bromo-2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1-benzofuran-3-carboxylate
| Molecular Formula | C18H21BrO6 |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 4.40092 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.05215 |
| Heavy Atoms | 25 |
| Complexity | 799.9797 |
Chemical Identifiers
| CAS Number | 315237-24-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC(=O)OC(C)(C)C)Br)C |
Product Overview
ChemDiv1_006337 (CAS 315237-24-2), with molecular formula C18H21BrO6 and molecular weight 412.05 g/mol. IUPAC: ethyl 6-bromo-2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_006337
Property Insights of ChemDiv1_006337
The XLogP value of 4.40092 indicates that ChemDiv1_006337 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006337. Following Lipinski's Rule of Five, ChemDiv1_006337 has 0 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 ChemDiv1_006337?
The CAS number of ChemDiv1_006337 is 315237-24-2.
What is the molecular formula of ChemDiv1_006337?
The molecular formula of ChemDiv1_006337 is C18H21BrO6.
What is the molecular weight of ChemDiv1_006337?
The molecular weight of ChemDiv1_006337 is 412.05 g/mol.
Where can I buy ChemDiv1_006337?
You can request a quote for ChemDiv1_006337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006337?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.