F1198-0001
TL;DR: F1198-0001 (CAS 457952-22-6) 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.
2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide
Also Known As: F1198-0001, 2-((5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N,N-bis(2-hydroxyethyl)acetamide, 2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N,N-bis(2-hydroxyethyl)acetamide, 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide, 2-(5,6-dimethyl-4-oxo-3-phenyl(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio))-N,N -bis(2-hydroxyethyl)acetamide
| Molecular Formula | C20H23N3O4S2 |
|---|---|
| Molecular Weight | 433.11 g/mol |
| LogP | 1.96934 |
| Topological Polar Surface Area | 95.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.113 |
| Heavy Atoms | 29 |
| Complexity | 1057.0138 |
Chemical Identifiers
| CAS Number | 457952-22-6 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N(CCO)CCO)C3=CC=CC=C3)C |
Product Overview
F1198-0001 (CAS 457952-22-6), with molecular formula C20H23N3O4S2 and molecular weight 433.11 g/mol. IUPAC: 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide.
Chemical Property Profile of F1198-0001
Property Insights of F1198-0001
The XLogP value of 1.96934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1198-0001. The TPSA of 95.66 Ų falls within the moderate polarity range, balancing permeability and solubility for F1198-0001. Following Lipinski's Rule of Five, F1198-0001 has 2 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 F1198-0001?
The CAS number of F1198-0001 is 457952-22-6.
What is the molecular formula of F1198-0001?
The molecular formula of F1198-0001 is C20H23N3O4S2.
What is the molecular weight of F1198-0001?
The molecular weight of F1198-0001 is 433.11 g/mol.
Where can I buy F1198-0001?
You can request a quote for F1198-0001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1198-0001?
Yes, KEHONG BIO provides custom synthesis services for F1198-0001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.