IFLab1_003237
TL;DR: IFLab1_003237 (CAS 307344-04-3) 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-5-methyl-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_003237, AE-848/11485443, 7-ethyl-5-methyl-10-thia-3,4,6,8-tetraazatetracyclo[7.6.0.0^{2,6}.0^{11,15}]pentadeca-1(9),2,4,7,11(15)-pentaene, 5-ethyl-3-methyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 5-ethyl-3-methyl-4,8,9,10-tetrahydrocyclopenta[1,2-d]1,2,4-triazolo[4',3'-6,1] pyrimidino[4,5-b]thiophene
| Molecular Formula | C13H14N4S |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 3.8 |
| 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 | 339.0 |
Chemical Identifiers
| CAS Number | 307344-04-3 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCC3)C4=NN=C(N14)C |
| InChIKey | PAMDOAUASDEVQC-UHFFFAOYSA-N |
Product Overview
IFLab1_003237 (CAS 307344-04-3), with molecular formula C13H14N4S and molecular weight 258.09 g/mol. IUPAC: 7-ethyl-5-methyl-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_003237
Property Insights of IFLab1_003237
The XLogP value of 3.8 indicates that IFLab1_003237 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_003237. Following Lipinski's Rule of Five, IFLab1_003237 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_003237?
The CAS number of IFLab1_003237 is 307344-04-3.
What is the molecular formula of IFLab1_003237?
The molecular formula of IFLab1_003237 is C13H14N4S.
What is the molecular weight of IFLab1_003237?
The molecular weight of IFLab1_003237 is 258.09 g/mol.
Where can I buy IFLab1_003237?
You can request a quote for IFLab1_003237 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003237?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003237 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.