![Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate structure](/static/products/313/313380-17-5.png)
Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate
TL;DR: Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate (CAS 313380-17-5) is a chemical compound with molecular formula C25H26N2O2S and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-(1-adamantyl)-3-aminothieno[2,3-b]pyridine-2-carboxylate
Also Known As: benzyl 6-(1-adamantyl)-3-aminothieno[2,3-b]pyridine-2-carboxylate, phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate, benzyl 3-amino-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)thieno[2,3-b]pyridine-2-carboxylate, benzyl 6-((3r,5r,7r)-adamantan-1-yl)-3-aminothieno[2,3-b]pyridine-2-carboxylate
| Molecular Formula | C25H26N2O2S |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 5.7033 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.1715 |
| Heavy Atoms | 30 |
| Complexity | 1085.5997 |
Chemical Identifiers
| CAS Number | 313380-17-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C4)C(=C(S5)C(=O)OCC6=CC=CC=C6)N |
Product Overview
Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate (CAS 313380-17-5), with molecular formula C25H26N2O2S and molecular weight 418.17 g/mol. IUPAC: benzyl 6-(1-adamantyl)-3-aminothieno[2,3-b]pyridine-2-carboxylate.
Chemical Property Profile of Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate
Property Insights of Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate
The XLogP value of 5.7033 indicates that Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate. Following Lipinski's Rule of Five, Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate?
The CAS number of Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate is 313380-17-5.
What is the molecular formula of Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate?
The molecular formula of Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate is C25H26N2O2S.
What is the molecular weight of Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate?
The molecular weight of Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate is 418.17 g/mol.
Where can I buy Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate?
You can request a quote for Phenylmethyl 6-adamantanyl-3-aminothiopheno[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 Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethyl 6-adamantanyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.