CAS 609796-49-8 - C28H27BrN2O6S
TL;DR: CAS 609796-49-8 - C28H27BrN2O6S (CAS 609796-49-8) is a chemical compound with molecular formula C28H27BrN2O6S and molecular weight 598.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3E)-2-(3-bromophenyl)-3-[(4-butoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 2-(2-(3-bromophenyl)-3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
| Molecular Formula | C28H27BrN2O6S |
|---|---|
| Molecular Weight | 598.08 g/mol |
| LogP | 6.19592 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 598.07733 |
| Heavy Atoms | 38 |
| Complexity | 1398.5803 |
Chemical Identifiers
| CAS Number | 609796-49-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC)C)C4=CC(=CC=C4)Br)/O |
Product Overview
CAS 609796-49-8 - C28H27BrN2O6S (CAS 609796-49-8), with molecular formula C28H27BrN2O6S and molecular weight 598.08 g/mol. IUPAC: ethyl 2-[(3E)-2-(3-bromophenyl)-3-[(4-butoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of CAS 609796-49-8 - C28H27BrN2O6S
Property Insights of CAS 609796-49-8 - C28H27BrN2O6S
The XLogP value of 6.19592 indicates that CAS 609796-49-8 - C28H27BrN2O6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 609796-49-8 - C28H27BrN2O6S. Following Lipinski's Rule of Five, CAS 609796-49-8 - C28H27BrN2O6S has 1 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 CAS 609796-49-8 - C28H27BrN2O6S?
The CAS number of CAS 609796-49-8 - C28H27BrN2O6S is 609796-49-8.
What is the molecular formula of CAS 609796-49-8 - C28H27BrN2O6S?
The molecular formula of CAS 609796-49-8 - C28H27BrN2O6S is C28H27BrN2O6S.
What is the molecular weight of CAS 609796-49-8 - C28H27BrN2O6S?
The molecular weight of CAS 609796-49-8 - C28H27BrN2O6S is 598.08 g/mol.
Where can I buy CAS 609796-49-8 - C28H27BrN2O6S?
You can request a quote for CAS 609796-49-8 - C28H27BrN2O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 609796-49-8 - C28H27BrN2O6S?
Yes, KEHONG BIO provides custom synthesis services for CAS 609796-49-8 - C28H27BrN2O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.