![Propanoicacid,3-[ thio]-,ethylester structure](/static/products/603/603947-57-5.png)
Propanoicacid,3-[ thio]-,ethylester
TL;DR: Propanoicacid,3-[ thio]-,ethylester (CAS 603947-57-5) is a chemical compound with molecular formula C16H18N4O3S and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
Also Known As: Propanoicacid,3-[ thio]-,ethylester, ethyl 3-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate, Propanoic acid, 3-[(8-methoxy-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-, ethyl ester (9CI)
| Molecular Formula | C16H18N4O3S |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 2.5704 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.10995 |
| Heavy Atoms | 24 |
| Complexity | 893.78656 |
Chemical Identifiers
| CAS Number | 603947-57-5 |
|---|---|
| SMILES | CCOC(=O)CCSC1=NC2=C(C3=C(N2C)C=CC(=C3)OC)N=N1 |
Product Overview
Propanoicacid,3-[ thio]-,ethylester (CAS 603947-57-5), with molecular formula C16H18N4O3S and molecular weight 346.11 g/mol. IUPAC: ethyl 3-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate.
Chemical Property Profile of Propanoicacid,3-[ thio]-,ethylester
Property Insights of Propanoicacid,3-[ thio]-,ethylester
The XLogP value of 2.5704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoicacid,3-[ thio]-,ethylester. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoicacid,3-[ thio]-,ethylester. Following Lipinski's Rule of Five, Propanoicacid,3-[ thio]-,ethylester has 0 hydrogen bond donor(s) and 7 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 Propanoicacid,3-[ thio]-,ethylester?
The CAS number of Propanoicacid,3-[ thio]-,ethylester is 603947-57-5.
What is the molecular formula of Propanoicacid,3-[ thio]-,ethylester?
The molecular formula of Propanoicacid,3-[ thio]-,ethylester is C16H18N4O3S.
What is the molecular weight of Propanoicacid,3-[ thio]-,ethylester?
The molecular weight of Propanoicacid,3-[ thio]-,ethylester is 346.11 g/mol.
Where can I buy Propanoicacid,3-[ thio]-,ethylester?
You can request a quote for Propanoicacid,3-[ thio]-,ethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoicacid,3-[ thio]-,ethylester?
Yes, KEHONG BIO provides custom synthesis services for Propanoicacid,3-[ thio]-,ethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.