IFLab1_005099
TL;DR: IFLab1_005099 (CAS 488797-10-0) is a chemical compound with molecular formula C13H12N2O3S2 and molecular weight 308.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-oxooxolan-3-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: IFLab1_005099, BAS 05229489, AB00315340-02, F1228-0003, AS-871/41418233
| Molecular Formula | C13H12N2O3S2 |
|---|---|
| Molecular Weight | 308.03 g/mol |
| LogP | 1.8809 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.02893 |
| Heavy Atoms | 20 |
| Complexity | 764.7974 |
Chemical Identifiers
| CAS Number | 488797-10-0 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SC4CCOC4=O |
Product Overview
IFLab1_005099 (CAS 488797-10-0), with molecular formula C13H12N2O3S2 and molecular weight 308.03 g/mol. IUPAC: 10-(2-oxooxolan-3-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of IFLab1_005099
Property Insights of IFLab1_005099
The XLogP value of 1.8809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005099. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005099. Following Lipinski's Rule of Five, IFLab1_005099 has 1 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_005099?
The CAS number of IFLab1_005099 is 488797-10-0.
What is the molecular formula of IFLab1_005099?
The molecular formula of IFLab1_005099 is C13H12N2O3S2.
What is the molecular weight of IFLab1_005099?
The molecular weight of IFLab1_005099 is 308.03 g/mol.
Where can I buy IFLab1_005099?
You can request a quote for IFLab1_005099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005099?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.