C28H23BrN2O9S
TL;DR: C28H23BrN2O9S (CAS 620563-33-9) is a chemical compound with molecular formula C28H23BrN2O9S and molecular weight 642.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(3E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: allyl 2-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, prop-2-en-1-yl 2-{(3E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate, prop-2-enyl 2-[(3E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C28H23BrN2O9S |
|---|---|
| Molecular Weight | 642.03 g/mol |
| LogP | 4.66852 |
| Topological Polar Surface Area | 144.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 642.03076 |
| Heavy Atoms | 41 |
| Complexity | 1630.64 |
Chemical Identifiers
| CAS Number | 620563-33-9 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC(=C(C(=C5)Br)O)OC)C(=O)OCC=C |
Product Overview
C28H23BrN2O9S (CAS 620563-33-9), with molecular formula C28H23BrN2O9S and molecular weight 642.03 g/mol. IUPAC: prop-2-enyl 2-[(3E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of C28H23BrN2O9S
Property Insights of C28H23BrN2O9S
The XLogP value of 4.66852 indicates that C28H23BrN2O9S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.72 Ų indicates high polarity, suggesting C28H23BrN2O9S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C28H23BrN2O9S has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28H23BrN2O9S?
The CAS number of C28H23BrN2O9S is 620563-33-9.
What is the molecular formula of C28H23BrN2O9S?
The molecular formula of C28H23BrN2O9S is C28H23BrN2O9S.
What is the molecular weight of C28H23BrN2O9S?
The molecular weight of C28H23BrN2O9S is 642.03 g/mol.
Where can I buy C28H23BrN2O9S?
You can request a quote for C28H23BrN2O9S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H23BrN2O9S?
Yes, KEHONG BIO provides custom synthesis services for C28H23BrN2O9S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.