![[9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈 structure](/static/products/6235/6235-13-8.webp)
[9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈
TL;DR: [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈 (CAS 6235-13-8) is a chemical compound with molecular formula C19H16N2O and molecular weight 288.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈
2-(9-propan-2-ylxanthen-9-yl)propanedinitrile
Also Known As: KST-1A6676, 9-Dicyanmethyl-9-isopropyl-xanthen, [9-(propan-2-yl)-9h-xanthen-9-yl]propanedinitrile, 2-(9-propan-2-ylxanthen-9-yl)propanedinitrile
| Molecular Formula | C19H16N2O |
|---|---|
| Molecular Weight | 288.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.12625 |
| Heavy Atoms | 22 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 6235-13-8 |
|---|---|
| SMILES | CC(C)C1(C2=CC=CC=C2OC3=CC=CC=C31)C(C#N)C#N |
| InChIKey | LDAWVUKBGOMRHG-UHFFFAOYSA-N |
Product Overview
[9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈 (CAS 6235-13-8), with molecular formula C19H16N2O and molecular weight 288.13 g/mol. IUPAC: 2-(9-propan-2-ylxanthen-9-yl)propanedinitrile.
Chemical Property Profile of [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈
Property Insights of [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈
The XLogP value of 4.3 indicates that [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈 has 0 hydrogen bond donor(s) and 3 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 [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈?
The CAS number of [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈 is 6235-13-8.
What is the molecular formula of [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈?
The molecular formula of [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈 is C19H16N2O.
What is the molecular weight of [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈?
The molecular weight of [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈 is 288.13 g/mol.
Where can I buy [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈?
You can request a quote for [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈?
Yes, KEHONG BIO provides custom synthesis services for [9-(丙烷-2-基)-9H-呫吨-9-基]丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.