C28H25F2N3O4S
TL;DR: C28H25F2N3O4S (CAS 1031212-92-6) is a chemical compound with molecular formula C28H25F2N3O4S and molecular weight 537.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3239/0137580, ethyl 4-[({1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate, ETHYL 4-({2-[3-(4-FLUOROPHENETHYL)-1-(4-FLUOROPHENYL)-5-OXO-2-THIOXO-4-IMIDAZOLIDINYL]ACETYL}AMINO)BENZOATE, ethyl 4-(2-(3-(4-fluorophenethyl)-1-(4-fluorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-[[2-[1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C28H25F2N3O4S |
|---|---|
| Molecular Weight | 537.15 g/mol |
| LogP | 4.7151 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 537.1534 |
| Heavy Atoms | 38 |
| Complexity | 1331.7145 |
Chemical Identifiers
| CAS Number | 1031212-92-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=C(C=C3)F)C4=CC=C(C=C4)F |
Product Overview
C28H25F2N3O4S (CAS 1031212-92-6), with molecular formula C28H25F2N3O4S and molecular weight 537.15 g/mol. IUPAC: ethyl 4-[[2-[1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of C28H25F2N3O4S
Property Insights of C28H25F2N3O4S
The XLogP value of 4.7151 indicates that C28H25F2N3O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H25F2N3O4S. Following Lipinski's Rule of Five, C28H25F2N3O4S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28H25F2N3O4S?
The CAS number of C28H25F2N3O4S is 1031212-92-6.
What is the molecular formula of C28H25F2N3O4S?
The molecular formula of C28H25F2N3O4S is C28H25F2N3O4S.
What is the molecular weight of C28H25F2N3O4S?
The molecular weight of C28H25F2N3O4S is 537.15 g/mol.
Where can I buy C28H25F2N3O4S?
You can request a quote for C28H25F2N3O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H25F2N3O4S?
Yes, KEHONG BIO provides custom synthesis services for C28H25F2N3O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.