ChemDiv1_006072
TL;DR: ChemDiv1_006072 (CAS 308295-69-4) is a chemical compound with molecular formula C22H21BrO6 and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-bromo-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_006072, BIM-0002953.P001, propan-2-yl 6-bromo-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate, F0821-0351, isopropyl 6-bromo-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
| Molecular Formula | C22H21BrO6 |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 5.33922 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.05215 |
| Heavy Atoms | 29 |
| Complexity | 1049.3448 |
Chemical Identifiers
| CAS Number | 308295-69-4 |
|---|---|
| SMILES | CC1=C(C2=CC(=C(C=C2O1)Br)OCC(=O)C3=CC=C(C=C3)OC)C(=O)OC(C)C |
Product Overview
ChemDiv1_006072 (CAS 308295-69-4), with molecular formula C22H21BrO6 and molecular weight 460.05 g/mol. IUPAC: propan-2-yl 6-bromo-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_006072
Property Insights of ChemDiv1_006072
The XLogP value of 5.33922 indicates that ChemDiv1_006072 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_006072. Following Lipinski's Rule of Five, ChemDiv1_006072 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006072?
The CAS number of ChemDiv1_006072 is 308295-69-4.
What is the molecular formula of ChemDiv1_006072?
The molecular formula of ChemDiv1_006072 is C22H21BrO6.
What is the molecular weight of ChemDiv1_006072?
The molecular weight of ChemDiv1_006072 is 460.05 g/mol.
Where can I buy ChemDiv1_006072?
You can request a quote for ChemDiv1_006072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006072?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.