IFLab1_000710
TL;DR: IFLab1_000710 (CAS 294668-18-1) is a chemical compound with molecular formula C13H14N4S and molecular weight 258.09 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[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: IFLab1_000710, BAS 00569870, 5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, F0239-0748, 7-ethyl-10-thia-3,4,6,8-tetraazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene
| Molecular Formula | C13H14N4S |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.0939 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 294668-18-1 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCCC3)C4=NN=CN14 |
| InChIKey | GCAIZJXMMOWLJA-UHFFFAOYSA-N |
Product Overview
IFLab1_000710 (CAS 294668-18-1), with molecular formula C13H14N4S and molecular weight 258.09 g/mol. IUPAC: 7-ethyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of IFLab1_000710
Property Insights of IFLab1_000710
The XLogP value of 3.9 indicates that IFLab1_000710 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_000710. Following Lipinski's Rule of Five, IFLab1_000710 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_000710?
The CAS number of IFLab1_000710 is 294668-18-1.
What is the molecular formula of IFLab1_000710?
The molecular formula of IFLab1_000710 is C13H14N4S.
What is the molecular weight of IFLab1_000710?
The molecular weight of IFLab1_000710 is 258.09 g/mol.
Where can I buy IFLab1_000710?
You can request a quote for IFLab1_000710 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000710?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000710 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.