Bionet1_004670
TL;DR: Bionet1_004670 (CAS 439111-70-3) is a chemical compound with molecular formula C21H15N3O3S and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(4-phenylbenzoyl)triazol-1-yl]thiophene-2-carboxylate
Also Known As: Bionet1_004670, methyl 3-[4-([1,1'-biphenyl]-4-ylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate, methyl 3-[4-(4-phenylbenzoyl)triazol-1-yl]thiophene-2-carboxylate, 7R-0825, methyl 3-(4-{[1,1'-biphenyl]-4-carbonyl}-1H-1,2,3-triazol-1-yl)thiophene-2-carboxylate
| Molecular Formula | C21H15N3O3S |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 4.0134 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.0834 |
| Heavy Atoms | 28 |
| Complexity | 1131.1893 |
Chemical Identifiers
| CAS Number | 439111-70-3 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 |
Product Overview
Bionet1_004670 (CAS 439111-70-3), with molecular formula C21H15N3O3S and molecular weight 389.08 g/mol. IUPAC: methyl 3-[4-(4-phenylbenzoyl)triazol-1-yl]thiophene-2-carboxylate.
Chemical Property Profile of Bionet1_004670
Property Insights of Bionet1_004670
The XLogP value of 4.0134 indicates that Bionet1_004670 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_004670. Following Lipinski's Rule of Five, Bionet1_004670 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_004670?
The CAS number of Bionet1_004670 is 439111-70-3.
What is the molecular formula of Bionet1_004670?
The molecular formula of Bionet1_004670 is C21H15N3O3S.
What is the molecular weight of Bionet1_004670?
The molecular weight of Bionet1_004670 is 389.08 g/mol.
Where can I buy Bionet1_004670?
You can request a quote for Bionet1_004670 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004670?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004670 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.