ChemDiv3_009556
TL;DR: ChemDiv3_009556 (CAS 852153-90-3) is a chemical compound with molecular formula C16H16FN5O2S and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(4-fluorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: ChemDiv3_009556, IDI1_027466, F0648-0682, 6-((4-(4-fluorophenyl)-5-(isopropylthio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[4-(4-fluorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
| Molecular Formula | C16H16FN5O2S |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 1.8743 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.10086 |
| Heavy Atoms | 25 |
| Complexity | 962.49994 |
Chemical Identifiers
| CAS Number | 852153-90-3 |
|---|---|
| SMILES | CC(C)SC1=NN=C(N1C2=CC=C(C=C2)F)CC3=CC(=O)NC(=O)N3 |
Product Overview
ChemDiv3_009556 (CAS 852153-90-3), with molecular formula C16H16FN5O2S and molecular weight 361.10 g/mol. IUPAC: 6-[[4-(4-fluorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv3_009556
Property Insights of ChemDiv3_009556
The XLogP value of 1.8743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_009556. The TPSA of 96.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_009556. Following Lipinski's Rule of Five, ChemDiv3_009556 has 2 hydrogen bond donor(s) and 5 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 ChemDiv3_009556?
The CAS number of ChemDiv3_009556 is 852153-90-3.
What is the molecular formula of ChemDiv3_009556?
The molecular formula of ChemDiv3_009556 is C16H16FN5O2S.
What is the molecular weight of ChemDiv3_009556?
The molecular weight of ChemDiv3_009556 is 361.10 g/mol.
Where can I buy ChemDiv3_009556?
You can request a quote for ChemDiv3_009556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009556?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.