![Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate structure](/static/products/406/406196-06-3.png)
Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate
TL;DR: Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate (CAS 406196-06-3) is a chemical compound with molecular formula C16H12N4O2S and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate
Also Known As: methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate, Methyl 4,9-diamino-3-cyano-2-phenyl-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-carboxylate
| Molecular Formula | C16H12N4O2S |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.06808 |
| Heavy Atoms | 23 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 406196-06-3 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)N=C(C(=C2C3=CC=CC=C3)C#N)N)N |
| InChIKey | RXRVHOQEIWTPTH-UHFFFAOYSA-N |
Product Overview
Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate (CAS 406196-06-3), with molecular formula C16H12N4O2S and molecular weight 324.07 g/mol. IUPAC: methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate.
Chemical Property Profile of Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate
Property Insights of Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate
The XLogP value of 3.8 indicates that Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 3,6-diamino-5-cyano-4-phenylthieno[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 Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate?
The CAS number of Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate is 406196-06-3.
What is the molecular formula of Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate?
The molecular formula of Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate is C16H12N4O2S.
What is the molecular weight of Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate?
The molecular weight of Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate is 324.07 g/mol.
Where can I buy Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate?
You can request a quote for Methyl 3,6-diamino-5-cyano-4-phenylthieno[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 Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.