ChemDiv1_004302
TL;DR: ChemDiv1_004302 (CAS 292871-77-3) is a chemical compound with molecular formula C23H21BrN2O6S and molecular weight 532.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[(5-bromofuran-2-yl)methylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_004302, AN-648/12904006, ethyl (2Z)-2-[(5-bromofuran-2-yl)methylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-[(5-bromofuran-2-yl)methylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 2-((5-bromofuran-2-yl)methylene)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C23H21BrN2O6S |
|---|---|
| Molecular Weight | 532.03 g/mol |
| LogP | 3.171 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.0304 |
| Heavy Atoms | 33 |
| Complexity | 1431.6918 |
Chemical Identifiers
| CAS Number | 292871-77-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=C(C=C(C=C3)OC)OC)C(=O)/C(=C/C4=CC=C(O4)Br)/S2)C |
Product Overview
ChemDiv1_004302 (CAS 292871-77-3), with molecular formula C23H21BrN2O6S and molecular weight 532.03 g/mol. IUPAC: ethyl (2Z)-2-[(5-bromofuran-2-yl)methylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_004302
Property Insights of ChemDiv1_004302
The XLogP value of 3.171 indicates that ChemDiv1_004302 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004302. Following Lipinski's Rule of Five, ChemDiv1_004302 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004302?
The CAS number of ChemDiv1_004302 is 292871-77-3.
What is the molecular formula of ChemDiv1_004302?
The molecular formula of ChemDiv1_004302 is C23H21BrN2O6S.
What is the molecular weight of ChemDiv1_004302?
The molecular weight of ChemDiv1_004302 is 532.03 g/mol.
Where can I buy ChemDiv1_004302?
You can request a quote for ChemDiv1_004302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004302?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.