Bionet1_004702
TL;DR: Bionet1_004702 (CAS 439112-23-9) is a chemical compound with molecular formula C16H11Cl2N3O3S and molecular weight 394.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(2,4-dichlorobenzoyl)-5-methyltriazol-1-yl]thiophene-2-carboxylate
Also Known As: Bionet1_004702, methyl 3-[4-(2,4-dichlorobenzoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate, 8R-0804, methyl 3-[4-(2,4-dichlorobenzoyl)-5-methyl-1H-1,2,3-triazol-1-yl]thiophene-2-carboxylate, methyl 3-[4-(2,4-dichlorobenzoyl)-5-methyltriazol-1-yl]thiophene-2-carboxylate
| Molecular Formula | C16H11Cl2N3O3S |
|---|---|
| Molecular Weight | 394.99 g/mol |
| LogP | 3.96162 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.9898 |
| Heavy Atoms | 25 |
| Complexity | 980.9178 |
Chemical Identifiers
| CAS Number | 439112-23-9 |
|---|---|
| SMILES | CC1=C(N=NN1C2=C(SC=C2)C(=O)OC)C(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
Bionet1_004702 (CAS 439112-23-9), with molecular formula C16H11Cl2N3O3S and molecular weight 394.99 g/mol. IUPAC: methyl 3-[4-(2,4-dichlorobenzoyl)-5-methyltriazol-1-yl]thiophene-2-carboxylate.
Chemical Property Profile of Bionet1_004702
Property Insights of Bionet1_004702
The XLogP value of 3.96162 indicates that Bionet1_004702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004702. Following Lipinski's Rule of Five, Bionet1_004702 has 0 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 Bionet1_004702?
The CAS number of Bionet1_004702 is 439112-23-9.
What is the molecular formula of Bionet1_004702?
The molecular formula of Bionet1_004702 is C16H11Cl2N3O3S.
What is the molecular weight of Bionet1_004702?
The molecular weight of Bionet1_004702 is 394.99 g/mol.
Where can I buy Bionet1_004702?
You can request a quote for Bionet1_004702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004702?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.