IFLab1_002199
TL;DR: IFLab1_002199 (CAS 686771-03-9) is a chemical compound with molecular formula C21H18N2O3S2 and molecular weight 410.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate
Also Known As: IFLab1_002199, benzyl 2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetate, F0579-0084, benzyl 2-({4-oxo-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate, benzyl 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate
| Molecular Formula | C21H18N2O3S2 |
|---|---|
| Molecular Weight | 410.08 g/mol |
| LogP | 3.7162 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.0759 |
| Heavy Atoms | 28 |
| Complexity | 1036.7664 |
Chemical Identifiers
| CAS Number | 686771-03-9 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)OCC4=CC=CC=C4 |
Product Overview
IFLab1_002199 (CAS 686771-03-9), with molecular formula C21H18N2O3S2 and molecular weight 410.08 g/mol. IUPAC: benzyl 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate.
Chemical Property Profile of IFLab1_002199
Property Insights of IFLab1_002199
The XLogP value of 3.7162 indicates that IFLab1_002199 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002199. Following Lipinski's Rule of Five, IFLab1_002199 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 IFLab1_002199?
The CAS number of IFLab1_002199 is 686771-03-9.
What is the molecular formula of IFLab1_002199?
The molecular formula of IFLab1_002199 is C21H18N2O3S2.
What is the molecular weight of IFLab1_002199?
The molecular weight of IFLab1_002199 is 410.08 g/mol.
Where can I buy IFLab1_002199?
You can request a quote for IFLab1_002199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002199?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.