F0612-0094
TL;DR: F0612-0094 (CAS 851409-31-9) is a chemical compound with molecular formula C20H23N3O4S2 and molecular weight 433.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: F0612-0094, ethyl 4-(2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamido)benzoate, ethyl 4-[[2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate, ethyl 4-[2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
| Molecular Formula | C20H23N3O4S2 |
|---|---|
| Molecular Weight | 433.11 g/mol |
| LogP | 3.2074 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.113 |
| Heavy Atoms | 29 |
| Complexity | 972.927 |
Chemical Identifiers
| CAS Number | 851409-31-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OCC |
Product Overview
F0612-0094 (CAS 851409-31-9), with molecular formula C20H23N3O4S2 and molecular weight 433.11 g/mol. IUPAC: ethyl 4-[[2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F0612-0094
Property Insights of F0612-0094
The XLogP value of 3.2074 indicates that F0612-0094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F0612-0094. Following Lipinski's Rule of Five, F0612-0094 has 1 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 F0612-0094?
The CAS number of F0612-0094 is 851409-31-9.
What is the molecular formula of F0612-0094?
The molecular formula of F0612-0094 is C20H23N3O4S2.
What is the molecular weight of F0612-0094?
The molecular weight of F0612-0094 is 433.11 g/mol.
Where can I buy F0612-0094?
You can request a quote for F0612-0094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0612-0094?
Yes, KEHONG BIO provides custom synthesis services for F0612-0094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.