1H-053
TL;DR: 1H-053 (CAS 321430-90-4) is a chemical compound with molecular formula C16H8Cl2F4N2O2S and molecular weight 437.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-2-fluorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidine-2,5-dione
Also Known As: 1H-053, 1-(4-chloro-2-fluorophenyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}dihydro-1H-pyrrole-2,5-dione, 1-(4-chloro-2-fluorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylpyrrolidine-2,5-dione, 1-(4-chloro-2-fluorophenyl)-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}pyrrolidine-2,5-dione, 1-(4-CHLORO-2-FLUOROPHENYL)-3-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL)DIHYDRO-1H-PYRROLE-2,5-DIONE
| Molecular Formula | C16H8Cl2F4N2O2S |
|---|---|
| Molecular Weight | 437.96 g/mol |
| LogP | 4.9705 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.96198 |
| Heavy Atoms | 27 |
| Complexity | 939.12164 |
Chemical Identifiers
| CAS Number | 321430-90-4 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=C(C=C(C=C2)Cl)F)SC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1H-053 (CAS 321430-90-4), with molecular formula C16H8Cl2F4N2O2S and molecular weight 437.96 g/mol. IUPAC: 1-(4-chloro-2-fluorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidine-2,5-dione.
Chemical Property Profile of 1H-053
Property Insights of 1H-053
The XLogP value of 4.9705 indicates that 1H-053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.27 Ų, 1H-053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-053 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-053?
The CAS number of 1H-053 is 321430-90-4.
What is the molecular formula of 1H-053?
The molecular formula of 1H-053 is C16H8Cl2F4N2O2S.
What is the molecular weight of 1H-053?
The molecular weight of 1H-053 is 437.96 g/mol.
Where can I buy 1H-053?
You can request a quote for 1H-053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-053?
Yes, KEHONG BIO provides custom synthesis services for 1H-053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.