2-(9-丁基呫吨-9-基)丙二腈
TL;DR: 2-(9-丁基呫吨-9-基)丙二腈 (CAS 52962-55-7) is a chemical compound with molecular formula C20H18N2O and molecular weight 302.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9-丁基呫吨-9-基)丙二腈
2-(9-butylxanthen-9-yl)propanedinitrile
Also Known As: 2-(9-butylxanthen-9-yl)propanedinitrile, (9-Butyl-9H-xanthen-9-yl)propanedinitrile
| Molecular Formula | C20H18N2O |
|---|---|
| Molecular Weight | 302.14 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.1419 |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 52962-55-7 |
|---|---|
| SMILES | CCCCC1(C2=CC=CC=C2OC3=CC=CC=C31)C(C#N)C#N |
| InChIKey | ZYFRRLFHSDLDFK-UHFFFAOYSA-N |
Product Overview
2-(9-丁基呫吨-9-基)丙二腈 (CAS 52962-55-7), with molecular formula C20H18N2O and molecular weight 302.14 g/mol. IUPAC: 2-(9-butylxanthen-9-yl)propanedinitrile.
Chemical Property Profile of 2-(9-丁基呫吨-9-基)丙二腈
Property Insights of 2-(9-丁基呫吨-9-基)丙二腈
The XLogP value of 5.1 indicates that 2-(9-丁基呫吨-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, 2-(9-丁基呫吨-9-基)丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(9-丁基呫吨-9-基)丙二腈 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(9-丁基呫吨-9-基)丙二腈?
The CAS number of 2-(9-丁基呫吨-9-基)丙二腈 is 52962-55-7.
What is the molecular formula of 2-(9-丁基呫吨-9-基)丙二腈?
The molecular formula of 2-(9-丁基呫吨-9-基)丙二腈 is C20H18N2O.
What is the molecular weight of 2-(9-丁基呫吨-9-基)丙二腈?
The molecular weight of 2-(9-丁基呫吨-9-基)丙二腈 is 302.14 g/mol.
Where can I buy 2-(9-丁基呫吨-9-基)丙二腈?
You can request a quote for 2-(9-丁基呫吨-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 2-(9-丁基呫吨-9-基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(9-丁基呫吨-9-基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.