ChemDiv1_000644
TL;DR: ChemDiv1_000644 (CAS 324538-95-6) is a chemical compound with molecular formula C24H25BrO6 and molecular weight 488.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(adamantane-1-carbonyloxy)-4-bromo-2-formyl-7-methyl-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_000644, UPCMLD0ENAT0507-4579:001, ethyl 5-(adamantane-1-carbonyloxy)-4-bromo-2-formyl-7-methyl-1-benzofuran-3-carboxylate, ethyl 5-[(1-adamantylcarbonyl)oxy]-4-bromo-2-formyl-7-methyl-1-benzofuran-3-carboxylate
| Molecular Formula | C24H25BrO6 |
|---|---|
| Molecular Weight | 488.08 g/mol |
| LogP | 5.61472 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.08344 |
| Heavy Atoms | 31 |
| Complexity | 1062.1309 |
Chemical Identifiers
| CAS Number | 324538-95-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C34CC5CC(C3)CC(C5)C4)Br)C=O |
Product Overview
ChemDiv1_000644 (CAS 324538-95-6), with molecular formula C24H25BrO6 and molecular weight 488.08 g/mol. IUPAC: ethyl 5-(adamantane-1-carbonyloxy)-4-bromo-2-formyl-7-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_000644
Property Insights of ChemDiv1_000644
The XLogP value of 5.61472 indicates that ChemDiv1_000644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000644. Following Lipinski's Rule of Five, ChemDiv1_000644 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_000644?
The CAS number of ChemDiv1_000644 is 324538-95-6.
What is the molecular formula of ChemDiv1_000644?
The molecular formula of ChemDiv1_000644 is C24H25BrO6.
What is the molecular weight of ChemDiv1_000644?
The molecular weight of ChemDiv1_000644 is 488.08 g/mol.
Where can I buy ChemDiv1_000644?
You can request a quote for ChemDiv1_000644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000644?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.