Bionet1_003127
TL;DR: Bionet1_003127 (CAS 343374-94-7) is a chemical compound with molecular formula C19H15N3O5S and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-cyano-3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]thiophene-3-carboxylate
Also Known As: Bionet1_003127, methyl 2-[5-cyano-3-(4-methoxybenzyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate, 6N-805, methyl 2-{5-cyano-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}thiophene-3-carboxylate, methyl 2-[5-cyano-3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]thiophene-3-carboxylate
| Molecular Formula | C19H15N3O5S |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 1.77588 |
| Topological Polar Surface Area | 103.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.07324 |
| Heavy Atoms | 28 |
| Complexity | 1182.0038 |
Chemical Identifiers
| CAS Number | 343374-94-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)C(=CN(C2=O)C3=C(C=CS3)C(=O)OC)C#N |
Product Overview
Bionet1_003127 (CAS 343374-94-7), with molecular formula C19H15N3O5S and molecular weight 397.07 g/mol. IUPAC: methyl 2-[5-cyano-3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]thiophene-3-carboxylate.
Chemical Property Profile of Bionet1_003127
Property Insights of Bionet1_003127
The XLogP value of 1.77588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_003127. The TPSA of 103.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_003127. Following Lipinski's Rule of Five, Bionet1_003127 has 0 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 Bionet1_003127?
The CAS number of Bionet1_003127 is 343374-94-7.
What is the molecular formula of Bionet1_003127?
The molecular formula of Bionet1_003127 is C19H15N3O5S.
What is the molecular weight of Bionet1_003127?
The molecular weight of Bionet1_003127 is 397.07 g/mol.
Where can I buy Bionet1_003127?
You can request a quote for Bionet1_003127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003127?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.