F2014-0094
TL;DR: F2014-0094 (CAS 877618-93-4) is a chemical compound with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: F2014-0094, 3-benzyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 3-benzyl-2-((4-nitrobenzyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 3-benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C20H17N3O3S2 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 4.1403 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.07114 |
| Heavy Atoms | 28 |
| Complexity | 1066.5492 |
Chemical Identifiers
| CAS Number | 877618-93-4 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)CC3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
F2014-0094 (CAS 877618-93-4), with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol. IUPAC: 3-benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of F2014-0094
Property Insights of F2014-0094
The XLogP value of 4.1403 indicates that F2014-0094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for F2014-0094. Following Lipinski's Rule of Five, F2014-0094 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 F2014-0094?
The CAS number of F2014-0094 is 877618-93-4.
What is the molecular formula of F2014-0094?
The molecular formula of F2014-0094 is C20H17N3O3S2.
What is the molecular weight of F2014-0094?
The molecular weight of F2014-0094 is 411.07 g/mol.
Where can I buy F2014-0094?
You can request a quote for F2014-0094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2014-0094?
Yes, KEHONG BIO provides custom synthesis services for F2014-0094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.