IFLab1_001044
TL;DR: IFLab1_001044 (CAS 121746-06-3) is a chemical compound with molecular formula C12H14N2O2S2 and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethylsulfanyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: IFLab1_001044, 2-((2-hydroxyethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, WYE-176092?, AB00667200-01, (R)-1-(2,3-DIFLUOROPHENYL)PROPAN-1-AMINE-HCl
| Molecular Formula | C12H14N2O2S2 |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 1.9478 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.04968 |
| Heavy Atoms | 18 |
| Complexity | 632.7745 |
Chemical Identifiers
| CAS Number | 121746-06-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCCO |
Product Overview
IFLab1_001044 (CAS 121746-06-3), with molecular formula C12H14N2O2S2 and molecular weight 282.05 g/mol. IUPAC: 2-(2-hydroxyethylsulfanyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of IFLab1_001044
Property Insights of IFLab1_001044
The XLogP value of 1.9478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001044. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001044. Following Lipinski's Rule of Five, IFLab1_001044 has 2 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_001044?
The CAS number of IFLab1_001044 is 121746-06-3.
What is the molecular formula of IFLab1_001044?
The molecular formula of IFLab1_001044 is C12H14N2O2S2.
What is the molecular weight of IFLab1_001044?
The molecular weight of IFLab1_001044 is 282.05 g/mol.
Where can I buy IFLab1_001044?
You can request a quote for IFLab1_001044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001044?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.