C18H21BrO5
TL;DR: C18H21BrO5 (CAS 847453-69-4) is a chemical compound with molecular formula C18H21BrO5 and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-(4-bromophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxooxolane-3-carboxylate
Also Known As: A3439/0146001, ethyl 4-(1-(4-bromophenyl)-1-oxopropan-2-yl)-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate, ethyl 4-[1-(4-bromophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxooxolane-3-carboxylate, ethyl 4-[1-(4-bromophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate, ETHYL 4-[2-(4-BROMOPHENYL)-1-METHYL-2-OXOETHYL]-5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURANCARBOXYLATE
| Molecular Formula | C18H21BrO5 |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 3.3988 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.05725 |
| Heavy Atoms | 24 |
| Complexity | 649.87787 |
Chemical Identifiers
| CAS Number | 847453-69-4 |
|---|---|
| SMILES | CCOC(=O)C1C(C(OC1=O)(C)C)C(C)C(=O)C2=CC=C(C=C2)Br |
Product Overview
C18H21BrO5 (CAS 847453-69-4), with molecular formula C18H21BrO5 and molecular weight 396.06 g/mol. IUPAC: ethyl 4-[1-(4-bromophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxooxolane-3-carboxylate.
Chemical Property Profile of C18H21BrO5
Property Insights of C18H21BrO5
The XLogP value of 3.3988 indicates that C18H21BrO5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H21BrO5. Following Lipinski's Rule of Five, C18H21BrO5 has 0 hydrogen bond donor(s) and 5 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 C18H21BrO5?
The CAS number of C18H21BrO5 is 847453-69-4.
What is the molecular formula of C18H21BrO5?
The molecular formula of C18H21BrO5 is C18H21BrO5.
What is the molecular weight of C18H21BrO5?
The molecular weight of C18H21BrO5 is 396.06 g/mol.
Where can I buy C18H21BrO5?
You can request a quote for C18H21BrO5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H21BrO5?
Yes, KEHONG BIO provides custom synthesis services for C18H21BrO5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.