CAS 617695-20-2 - C28H31N3O4S
TL;DR: CAS 617695-20-2 - C28H31N3O4S (CAS 617695-20-2) is a chemical compound with molecular formula C28H31N3O4S and molecular weight 505.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(4-tert-butylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: 4-(4-Butoxybenzoyl)-5-(4-(tert-butyl)phenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C28H31N3O4S |
|---|---|
| Molecular Weight | 505.20 g/mol |
| LogP | 5.94922 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.20352 |
| Heavy Atoms | 36 |
| Complexity | 1287.579 |
Chemical Identifiers
| CAS Number | 617695-20-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC=C(C=C4)C(C)(C)C)/O |
Product Overview
CAS 617695-20-2 - C28H31N3O4S (CAS 617695-20-2), with molecular formula C28H31N3O4S and molecular weight 505.20 g/mol. IUPAC: (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(4-tert-butylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of CAS 617695-20-2 - C28H31N3O4S
Property Insights of CAS 617695-20-2 - C28H31N3O4S
The XLogP value of 5.94922 indicates that CAS 617695-20-2 - C28H31N3O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.62 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 617695-20-2 - C28H31N3O4S. Following Lipinski's Rule of Five, CAS 617695-20-2 - C28H31N3O4S has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 617695-20-2 - C28H31N3O4S?
The CAS number of CAS 617695-20-2 - C28H31N3O4S is 617695-20-2.
What is the molecular formula of CAS 617695-20-2 - C28H31N3O4S?
The molecular formula of CAS 617695-20-2 - C28H31N3O4S is C28H31N3O4S.
What is the molecular weight of CAS 617695-20-2 - C28H31N3O4S?
The molecular weight of CAS 617695-20-2 - C28H31N3O4S is 505.20 g/mol.
Where can I buy CAS 617695-20-2 - C28H31N3O4S?
You can request a quote for CAS 617695-20-2 - C28H31N3O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 617695-20-2 - C28H31N3O4S?
Yes, KEHONG BIO provides custom synthesis services for CAS 617695-20-2 - C28H31N3O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.