IFLab1_000708
TL;DR: IFLab1_000708 (CAS 4639-67-2) is a chemical compound with molecular formula C15H13N3OS and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-3-yl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: IFLab1_000708, BAS 01213773, 2-(3-Pyridinyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, AE-848/08418016, 2-pyridin-3-yl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C15H13N3OS |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.07794 |
| Heavy Atoms | 20 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 4639-67-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CN=CC=C4 |
| InChIKey | WFBRNDJQTKHBPG-UHFFFAOYSA-N |
Product Overview
IFLab1_000708 (CAS 4639-67-2), with molecular formula C15H13N3OS and molecular weight 283.08 g/mol. IUPAC: 2-pyridin-3-yl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of IFLab1_000708
Property Insights of IFLab1_000708
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_000708. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000708. Following Lipinski's Rule of Five, IFLab1_000708 has 1 hydrogen bond donor(s) and 4 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_000708?
The CAS number of IFLab1_000708 is 4639-67-2.
What is the molecular formula of IFLab1_000708?
The molecular formula of IFLab1_000708 is C15H13N3OS.
What is the molecular weight of IFLab1_000708?
The molecular weight of IFLab1_000708 is 283.08 g/mol.
Where can I buy IFLab1_000708?
You can request a quote for IFLab1_000708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000708?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.