CAS 609796-78-3 - C28H27N3O6S
TL;DR: CAS 609796-78-3 - C28H27N3O6S (CAS 609796-78-3) is a chemical compound with molecular formula C28H27N3O6S and molecular weight 533.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Allyl 2-(3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
| Molecular Formula | C28H27N3O6S |
|---|---|
| Molecular Weight | 533.16 g/mol |
| LogP | 4.99452 |
| Topological Polar Surface Area | 118.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 533.16205 |
| Heavy Atoms | 38 |
| Complexity | 1381.3303 |
Chemical Identifiers
| CAS Number | 609796-78-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CN=CC=C4)/O |
Product Overview
CAS 609796-78-3 - C28H27N3O6S (CAS 609796-78-3), with molecular formula C28H27N3O6S and molecular weight 533.16 g/mol. IUPAC: prop-2-enyl 2-[(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of CAS 609796-78-3 - C28H27N3O6S
Property Insights of CAS 609796-78-3 - C28H27N3O6S
The XLogP value of 4.99452 indicates that CAS 609796-78-3 - C28H27N3O6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.92 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 609796-78-3 - C28H27N3O6S. Following Lipinski's Rule of Five, CAS 609796-78-3 - C28H27N3O6S has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 609796-78-3 - C28H27N3O6S?
The CAS number of CAS 609796-78-3 - C28H27N3O6S is 609796-78-3.
What is the molecular formula of CAS 609796-78-3 - C28H27N3O6S?
The molecular formula of CAS 609796-78-3 - C28H27N3O6S is C28H27N3O6S.
What is the molecular weight of CAS 609796-78-3 - C28H27N3O6S?
The molecular weight of CAS 609796-78-3 - C28H27N3O6S is 533.16 g/mol.
Where can I buy CAS 609796-78-3 - C28H27N3O6S?
You can request a quote for CAS 609796-78-3 - C28H27N3O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 609796-78-3 - C28H27N3O6S?
Yes, KEHONG BIO provides custom synthesis services for CAS 609796-78-3 - C28H27N3O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.