![Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate structure](/static/products/4763/476318-46-4.webp)
Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate
TL;DR: Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate (CAS 476318-46-4) is a chemical compound with molecular formula C16H11ClN4O2S and molecular weight 358.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate
Also Known As: IFLab1_001986, SDCCGSBI-0659298.P001, methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate, F0454-0014, methyl 3,6-diamino-4-(p-chlorophenyl)-5-cyano-1-thia-7-aza-2-indenecarboxylate
| Molecular Formula | C16H11ClN4O2S |
|---|---|
| Molecular Weight | 358.03 g/mol |
| LogP | 3.43938 |
| Topological Polar Surface Area | 115.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.0291 |
| Heavy Atoms | 24 |
| Complexity | 1005.8198 |
Chemical Identifiers
| CAS Number | 476318-46-4 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)N=C(C(=C2C3=CC=C(C=C3)Cl)C#N)N)N |
Product Overview
Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate (CAS 476318-46-4), with molecular formula C16H11ClN4O2S and molecular weight 358.03 g/mol. IUPAC: methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate.
Chemical Property Profile of Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate
Property Insights of Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate
The XLogP value of 3.43938 indicates that Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3,6-diamino-4-(4-chlorophenyl)-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 Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate?
The CAS number of Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate is 476318-46-4.
What is the molecular formula of Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate?
The molecular formula of Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate is C16H11ClN4O2S.
What is the molecular weight of Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate?
The molecular weight of Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate is 358.03 g/mol.
Where can I buy Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate?
You can request a quote for Methyl 3,6-diamino-4-(4-chlorophenyl)-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 Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.