IFLab1_005542
TL;DR: IFLab1_005542 (CAS 302554-34-3) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-8-(4-methoxyphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate
Also Known As: IFLab1_005542, IDI1_010945, AB00674280-01, AO-799/06310007, ethyl 3-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylate
| Molecular Formula | C20H20N2O3S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 4.2195 |
| Topological Polar Surface Area | 74.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.11948 |
| Heavy Atoms | 26 |
| Complexity | 992.6992 |
Chemical Identifiers
| CAS Number | 302554-34-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(C3=C(CCC3)N=C2S1)C4=CC=C(C=C4)OC)N |
Product Overview
IFLab1_005542 (CAS 302554-34-3), with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol. IUPAC: ethyl 6-amino-8-(4-methoxyphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate.
Chemical Property Profile of IFLab1_005542
Property Insights of IFLab1_005542
The XLogP value of 4.2195 indicates that IFLab1_005542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.44 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005542. Following Lipinski's Rule of Five, IFLab1_005542 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_005542?
The CAS number of IFLab1_005542 is 302554-34-3.
What is the molecular formula of IFLab1_005542?
The molecular formula of IFLab1_005542 is C20H20N2O3S.
What is the molecular weight of IFLab1_005542?
The molecular weight of IFLab1_005542 is 368.12 g/mol.
Where can I buy IFLab1_005542?
You can request a quote for IFLab1_005542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005542?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.