ChemDiv2_006344
TL;DR: ChemDiv2_006344 (CAS 852152-86-4) is a chemical compound with molecular formula C16H16N6O4S and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: ChemDiv2_006344, IDI1_005059, 2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, F0648-0473, 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C16H16N6O4S |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | -0.1793 |
| Topological Polar Surface Area | 148.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.09537 |
| Heavy Atoms | 27 |
| Complexity | 1041.2548 |
Chemical Identifiers
| CAS Number | 852152-86-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CC3=CC(=O)NC(=O)N3 |
Product Overview
ChemDiv2_006344 (CAS 852152-86-4), with molecular formula C16H16N6O4S and molecular weight 388.10 g/mol. IUPAC: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv2_006344
Property Insights of ChemDiv2_006344
The XLogP value of -0.1793 indicates that ChemDiv2_006344 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.75 Ų indicates high polarity, suggesting ChemDiv2_006344 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv2_006344 has 3 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 ChemDiv2_006344?
The CAS number of ChemDiv2_006344 is 852152-86-4.
What is the molecular formula of ChemDiv2_006344?
The molecular formula of ChemDiv2_006344 is C16H16N6O4S.
What is the molecular weight of ChemDiv2_006344?
The molecular weight of ChemDiv2_006344 is 388.10 g/mol.
Where can I buy ChemDiv2_006344?
You can request a quote for ChemDiv2_006344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006344?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.