F0579-0094
TL;DR: F0579-0094 (CAS 686771-10-8) is a chemical compound with molecular formula C21H18ClN3O2S2 and molecular weight 443.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: F0579-0094, N-(3-chloro-4-methylphenyl)-2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-(3-chloro-4-methylphenyl)-2-({4-oxo-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide, N-(3-chloro-4-methylphenyl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C21H18ClN3O2S2 |
|---|---|
| Molecular Weight | 443.05 g/mol |
| LogP | 4.57332 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.0529 |
| Heavy Atoms | 29 |
| Complexity | 1132.7604 |
Chemical Identifiers
| CAS Number | 686771-10-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)SCC3)Cl |
Product Overview
F0579-0094 (CAS 686771-10-8), with molecular formula C21H18ClN3O2S2 and molecular weight 443.05 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of F0579-0094
Property Insights of F0579-0094
The XLogP value of 4.57332 indicates that F0579-0094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for F0579-0094. Following Lipinski's Rule of Five, F0579-0094 has 1 hydrogen bond donor(s) and 5 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 F0579-0094?
The CAS number of F0579-0094 is 686771-10-8.
What is the molecular formula of F0579-0094?
The molecular formula of F0579-0094 is C21H18ClN3O2S2.
What is the molecular weight of F0579-0094?
The molecular weight of F0579-0094 is 443.05 g/mol.
Where can I buy F0579-0094?
You can request a quote for F0579-0094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0579-0094?
Yes, KEHONG BIO provides custom synthesis services for F0579-0094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.