4P-544S
TL;DR: 4P-544S (CAS 478045-46-4) is a chemical compound with molecular formula C19H16F3N5O4S3 and molecular weight 531.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(4-acetamidophenyl)sulfonylamino]phenyl]sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: 4P-544S, 2-{[2-({[4-(acetylamino)phenyl]sulfonyl}amino)phenyl]sulfanyl}-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-{[2-(4-acetamidobenzenesulfonamido)phenyl]sulfanyl}-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-[2-[(4-acetamidophenyl)sulfonylamino]phenyl]sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
| Molecular Formula | C19H16F3N5O4S3 |
|---|---|
| Molecular Weight | 531.03 g/mol |
| LogP | 4.0469 |
| Topological Polar Surface Area | 130.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.0317 |
| Heavy Atoms | 34 |
| Complexity | 1295.0109 |
Chemical Identifiers
| CAS Number | 478045-46-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC(=O)NC3=NN=C(S3)C(F)(F)F |
Product Overview
4P-544S (CAS 478045-46-4), with molecular formula C19H16F3N5O4S3 and molecular weight 531.03 g/mol. IUPAC: 2-[2-[(4-acetamidophenyl)sulfonylamino]phenyl]sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of 4P-544S
Property Insights of 4P-544S
The XLogP value of 4.0469 indicates that 4P-544S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4P-544S. Following Lipinski's Rule of Five, 4P-544S has 3 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 4P-544S?
The CAS number of 4P-544S is 478045-46-4.
What is the molecular formula of 4P-544S?
The molecular formula of 4P-544S is C19H16F3N5O4S3.
What is the molecular weight of 4P-544S?
The molecular weight of 4P-544S is 531.03 g/mol.
Where can I buy 4P-544S?
You can request a quote for 4P-544S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4P-544S?
Yes, KEHONG BIO provides custom synthesis services for 4P-544S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.