IFLab1_001010
TL;DR: IFLab1_001010 (CAS 304683-73-6) is a chemical compound with molecular formula C13H16N2OS2 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanol
Also Known As: IFLab1_001010, AE-848/37247022, 2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanol, 2-(2-methyl-5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-ylthio)ethan -1-ol, 2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanol
| Molecular Formula | C13H16N2OS2 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.96292 |
| Topological Polar Surface Area | 46.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0704 |
| Heavy Atoms | 18 |
| Complexity | 579.8652 |
Chemical Identifiers
| CAS Number | 304683-73-6 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCCO |
Product Overview
IFLab1_001010 (CAS 304683-73-6), with molecular formula C13H16N2OS2 and molecular weight 280.07 g/mol. IUPAC: 2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanol.
Chemical Property Profile of IFLab1_001010
Property Insights of IFLab1_001010
The XLogP value of 2.96292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001010. With a topological polar surface area (TPSA) of 46.01 Ų, IFLab1_001010 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_001010 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 IFLab1_001010?
The CAS number of IFLab1_001010 is 304683-73-6.
What is the molecular formula of IFLab1_001010?
The molecular formula of IFLab1_001010 is C13H16N2OS2.
What is the molecular weight of IFLab1_001010?
The molecular weight of IFLab1_001010 is 280.07 g/mol.
Where can I buy IFLab1_001010?
You can request a quote for IFLab1_001010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001010?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.