Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate
TL;DR: Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate (CAS 119022-77-4) is a chemical compound with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carboxylate
Also Known As: ethyl 3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carboxylate, BAS 00392721, Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate, ethyl 3,6-diamino-5-cyanothiopheno[2,3-b]pyridine-2-carboxylate, 3,6-Diamino-5-cyano-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester
| Molecular Formula | C11H10N4O2S |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 1.50908 |
| Topological Polar Surface Area | 115.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.05246 |
| Heavy Atoms | 18 |
| Complexity | 671.71356 |
Chemical Identifiers
| CAS Number | 119022-77-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(C(=C2)C#N)N)N |
Product Overview
Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate (CAS 119022-77-4), with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol. IUPAC: ethyl 3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carboxylate.
Chemical Property Profile of Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate
Property Insights of Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate
The XLogP value of 1.50908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate. The TPSA of 115.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate has 2 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 Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate?
The CAS number of Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate is 119022-77-4.
What is the molecular formula of Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate?
The molecular formula of Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate is C11H10N4O2S.
What is the molecular weight of Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate?
The molecular weight of Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate is 262.05 g/mol.
Where can I buy Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate?
You can request a quote for Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,6-diamino-5-cyanothieno(2,3-b)pyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.