IFLab1_002461
TL;DR: IFLab1_002461 (CAS 686771-01-7) is a chemical compound with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanoate
Also Known As: IFLab1_002461, F0579-0082, methyl 2-({4-oxo-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate, methyl 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanoate, methyl 2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)butanoate
| Molecular Formula | C17H18N2O3S2 |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 2.9244 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.0759 |
| Heavy Atoms | 24 |
| Complexity | 805.4732 |
Chemical Identifiers
| CAS Number | 686771-01-7 |
|---|---|
| SMILES | CCC(C(=O)OC)SC1=NC2=C(C(=O)N1C3=CC=CC=C3)SCC2 |
Product Overview
IFLab1_002461 (CAS 686771-01-7), with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol. IUPAC: methyl 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanoate.
Chemical Property Profile of IFLab1_002461
Property Insights of IFLab1_002461
The XLogP value of 2.9244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_002461. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002461. Following Lipinski's Rule of Five, IFLab1_002461 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_002461?
The CAS number of IFLab1_002461 is 686771-01-7.
What is the molecular formula of IFLab1_002461?
The molecular formula of IFLab1_002461 is C17H18N2O3S2.
What is the molecular weight of IFLab1_002461?
The molecular weight of IFLab1_002461 is 362.08 g/mol.
Where can I buy IFLab1_002461?
You can request a quote for IFLab1_002461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002461?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.