1H-052
TL;DR: 1H-052 (CAS 321430-89-1) is a chemical compound with molecular formula C16H10ClF3N2O4S2 and molecular weight 449.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dioxopyrrolidin-1-yl]thiophene-2-carboxylate
Also Known As: 1H-052, methyl 3-(3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)-2-thiophenecarboxylate, methyl 3-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]thiophene-2-carboxylate, methyl 3-(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)thiophene-2-carboxylate, Methyl 3-(3-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-2,5-dioxopyrrolidin-1-yl)thiophene-2-carboxylate
| Molecular Formula | C16H10ClF3N2O4S2 |
|---|---|
| Molecular Weight | 449.97 g/mol |
| LogP | 4.0261 |
| Topological Polar Surface Area | 76.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.97226 |
| Heavy Atoms | 28 |
| Complexity | 963.60626 |
Chemical Identifiers
| CAS Number | 321430-89-1 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N2C(=O)CC(C2=O)SC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1H-052 (CAS 321430-89-1), with molecular formula C16H10ClF3N2O4S2 and molecular weight 449.97 g/mol. IUPAC: methyl 3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dioxopyrrolidin-1-yl]thiophene-2-carboxylate.
Chemical Property Profile of 1H-052
Property Insights of 1H-052
The XLogP value of 4.0261 indicates that 1H-052 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-052. Following Lipinski's Rule of Five, 1H-052 has 0 hydrogen bond donor(s) and 7 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-052?
The CAS number of 1H-052 is 321430-89-1.
What is the molecular formula of 1H-052?
The molecular formula of 1H-052 is C16H10ClF3N2O4S2.
What is the molecular weight of 1H-052?
The molecular weight of 1H-052 is 449.97 g/mol.
Where can I buy 1H-052?
You can request a quote for 1H-052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-052?
Yes, KEHONG BIO provides custom synthesis services for 1H-052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.