IFLab1_003193
TL;DR: IFLab1_003193 (CAS 307344-03-2) is a chemical compound with molecular formula C12H12N4S and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-10-thia-3,4,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
Also Known As: IFLab1_003193, 5-ethyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, VU0494002-1, AF-399/13278134, F0745-0910
| Molecular Formula | C12H12N4S |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.07826 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 307344-03-2 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCC3)C4=NN=CN14 |
| InChIKey | PYPPWLNXAQCPPP-UHFFFAOYSA-N |
Product Overview
IFLab1_003193 (CAS 307344-03-2), with molecular formula C12H12N4S and molecular weight 244.08 g/mol. IUPAC: 7-ethyl-10-thia-3,4,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene.
Chemical Property Profile of IFLab1_003193
Property Insights of IFLab1_003193
The XLogP value of 3.4 indicates that IFLab1_003193 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003193. Following Lipinski's Rule of Five, IFLab1_003193 has 0 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_003193?
The CAS number of IFLab1_003193 is 307344-03-2.
What is the molecular formula of IFLab1_003193?
The molecular formula of IFLab1_003193 is C12H12N4S.
What is the molecular weight of IFLab1_003193?
The molecular weight of IFLab1_003193 is 244.08 g/mol.
Where can I buy IFLab1_003193?
You can request a quote for IFLab1_003193 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003193?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003193 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.