Bionet1_004157
TL;DR: Bionet1_004157 (CAS 477871-08-2) is a chemical compound with molecular formula C20H13N3O4S and molecular weight 391.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)pyrimidin-2-yl]phenyl] thiophene-2-carboxylate
Also Known As: Bionet1_004157, DivK1c_002653, CDS1_001613, 4-{4-[(E)-2-cyano-3-methoxy-3-oxo-1-propenyl]-2-pyrimidinyl}phenyl 2-thiophenecarboxylate, [4-[4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)pyrimidin-2-yl]phenyl] thiophene-2-carboxylate
| Molecular Formula | C20H13N3O4S |
|---|---|
| Molecular Weight | 391.06 g/mol |
| LogP | 3.50428 |
| Topological Polar Surface Area | 102.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.06268 |
| Heavy Atoms | 28 |
| Complexity | 1067.5852 |
Chemical Identifiers
| CAS Number | 477871-08-2 |
|---|---|
| SMILES | COC(=O)C(=CC1=NC(=NC=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CS3)C#N |
Product Overview
Bionet1_004157 (CAS 477871-08-2), with molecular formula C20H13N3O4S and molecular weight 391.06 g/mol. IUPAC: [4-[4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)pyrimidin-2-yl]phenyl] thiophene-2-carboxylate.
Chemical Property Profile of Bionet1_004157
Property Insights of Bionet1_004157
The XLogP value of 3.50428 indicates that Bionet1_004157 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004157. Following Lipinski's Rule of Five, Bionet1_004157 has 0 hydrogen bond donor(s) and 8 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_004157?
The CAS number of Bionet1_004157 is 477871-08-2.
What is the molecular formula of Bionet1_004157?
The molecular formula of Bionet1_004157 is C20H13N3O4S.
What is the molecular weight of Bionet1_004157?
The molecular weight of Bionet1_004157 is 391.06 g/mol.
Where can I buy Bionet1_004157?
You can request a quote for Bionet1_004157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004157?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.