![2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile structure](/static/products/866/866144-49-2.png)
2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile
TL;DR: 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile (CAS 866144-49-2) is a chemical compound with molecular formula C18H11N3OS and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzo[e][1]benzofuran-2-ylpyrimidin-2-yl)sulfanylacetonitrile
Also Known As: 2-[(4-naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile, 9T-0034, 2-(4-benzo[e][1]benzofuran-2-ylpyrimidin-2-yl)sulfanylacetonitrile, 2-[(4-{naphtho[2,1-b]furan-2-yl}pyrimidin-2-yl)sulfanyl]acetonitrile
| Molecular Formula | C18H11N3OS |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 4.65868 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0623 |
| Heavy Atoms | 23 |
| Complexity | 1048.9426 |
Chemical Identifiers
| CAS Number | 866144-49-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C4=NC(=NC=C4)SCC#N |
Product Overview
2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile (CAS 866144-49-2), with molecular formula C18H11N3OS and molecular weight 317.06 g/mol. IUPAC: 2-(4-benzo[e][1]benzofuran-2-ylpyrimidin-2-yl)sulfanylacetonitrile.
Chemical Property Profile of 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile
Property Insights of 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile
The XLogP value of 4.65868 indicates that 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile. Following Lipinski's Rule of Five, 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile 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 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile?
The CAS number of 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile is 866144-49-2.
What is the molecular formula of 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile?
The molecular formula of 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile is C18H11N3OS.
What is the molecular weight of 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile?
The molecular weight of 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile is 317.06 g/mol.
Where can I buy 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile?
You can request a quote for 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Naphtho[2,1-b]furan-2-yl-2-pyrimidinyl)sulfanyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.