(9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester
TL;DR: (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester (CAS 339312-05-9) is a chemical compound with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Also Known As: BAS 01313672, BIM-0037237.P001, AB00100880-01, (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester, ethyl [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
| Molecular Formula | C15H16N4O2S |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 2.6546 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0994 |
| Heavy Atoms | 22 |
| Complexity | 830.88196 |
Chemical Identifiers
| CAS Number | 339312-05-9 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC |
Product Overview
(9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester (CAS 339312-05-9), with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol. IUPAC: ethyl 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate.
Chemical Property Profile of (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester
Property Insights of (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester
The XLogP value of 2.6546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester. Following Lipinski's Rule of Five, (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester has 0 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 (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester?
The CAS number of (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester is 339312-05-9.
What is the molecular formula of (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester?
The molecular formula of (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester is C15H16N4O2S.
What is the molecular weight of (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester?
The molecular weight of (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester is 316.10 g/mol.
Where can I buy (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester?
You can request a quote for (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (9-Ethyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.