![3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile structure](/static/products/877/877779-08-3.png)
3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile
TL;DR: 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile (CAS 877779-08-3) is a chemical compound with molecular formula C16H14N4S and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[methyl-(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanenitrile
Also Known As: 3-(methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile, 3-[methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanenitrile, 3-[methyl-(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanenitrile, REGID_for_CID_665623
| Molecular Formula | C16H14N4S |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.0939 |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 877779-08-3 |
|---|---|
| SMILES | CN(CCC#N)C1=C2C(=CSC2=NC=N1)C3=CC=CC=C3 |
| InChIKey | OFBBFPIEKKOPBS-UHFFFAOYSA-N |
Product Overview
3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile (CAS 877779-08-3), with molecular formula C16H14N4S and molecular weight 294.09 g/mol. IUPAC: 3-[methyl-(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanenitrile.
Chemical Property Profile of 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile
Property Insights of 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile
The XLogP value of 3.3 indicates that 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile. Following Lipinski's Rule of Five, 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile has 0 hydrogen bond donor(s) and 5 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 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile?
The CAS number of 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile is 877779-08-3.
What is the molecular formula of 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile?
The molecular formula of 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile is C16H14N4S.
What is the molecular weight of 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile?
The molecular weight of 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile is 294.09 g/mol.
Where can I buy 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile?
You can request a quote for 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methyl(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.