ChemDiv3_009512
TL;DR: ChemDiv3_009512 (CAS 852152-79-5) is a chemical compound with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(4-methoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: ChemDiv3_009512, IDI1_027422, BRD-K80109866-001-01-8, F0648-0461, 6-[[4-(4-methoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
| Molecular Formula | C17H17N5O3S |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 1.5214 |
| Topological Polar Surface Area | 105.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.10522 |
| Heavy Atoms | 26 |
| Complexity | 991.61786 |
Chemical Identifiers
| CAS Number | 852152-79-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC=C)CC3=CC(=O)NC(=O)N3 |
Product Overview
ChemDiv3_009512 (CAS 852152-79-5), with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol. IUPAC: 6-[[4-(4-methoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv3_009512
Property Insights of ChemDiv3_009512
The XLogP value of 1.5214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_009512. The TPSA of 105.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_009512. Following Lipinski's Rule of Five, ChemDiv3_009512 has 2 hydrogen bond donor(s) and 6 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_009512?
The CAS number of ChemDiv3_009512 is 852152-79-5.
What is the molecular formula of ChemDiv3_009512?
The molecular formula of ChemDiv3_009512 is C17H17N5O3S.
What is the molecular weight of ChemDiv3_009512?
The molecular weight of ChemDiv3_009512 is 371.11 g/mol.
Where can I buy ChemDiv3_009512?
You can request a quote for ChemDiv3_009512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009512?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.