(9-甲基-9H-呫吨-9-基)丙二腈
TL;DR: (9-甲基-9H-呫吨-9-基)丙二腈 (CAS 6235-11-6) is a chemical compound with molecular formula C17H12N2O and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-甲基-9H-呫吨-9-基)丙二腈
2-(9-methylxanthen-9-yl)propanedinitrile
Also Known As: (9-methyl-9h-xanthen-9-yl)propanedinitrile, KST-1A0209, 2-(9-methylxanthen-9-yl)propanedinitrile
| Molecular Formula | C17H12N2O |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.09497 |
| Heavy Atoms | 20 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 6235-11-6 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2OC3=CC=CC=C31)C(C#N)C#N |
| InChIKey | RLUDNCKQQCXQKV-UHFFFAOYSA-N |
Product Overview
(9-甲基-9H-呫吨-9-基)丙二腈 (CAS 6235-11-6), with molecular formula C17H12N2O and molecular weight 260.09 g/mol. IUPAC: 2-(9-methylxanthen-9-yl)propanedinitrile.
Chemical Property Profile of (9-甲基-9H-呫吨-9-基)丙二腈
Property Insights of (9-甲基-9H-呫吨-9-基)丙二腈
The XLogP value of 3.5 indicates that (9-甲基-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-甲基-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-甲基-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-甲基-9H-呫吨-9-基)丙二腈?
The CAS number of (9-甲基-9H-呫吨-9-基)丙二腈 is 6235-11-6.
What is the molecular formula of (9-甲基-9H-呫吨-9-基)丙二腈?
The molecular formula of (9-甲基-9H-呫吨-9-基)丙二腈 is C17H12N2O.
What is the molecular weight of (9-甲基-9H-呫吨-9-基)丙二腈?
The molecular weight of (9-甲基-9H-呫吨-9-基)丙二腈 is 260.09 g/mol.
Where can I buy (9-甲基-9H-呫吨-9-基)丙二腈?
You can request a quote for (9-甲基-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-甲基-9H-呫吨-9-基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (9-甲基-9H-呫吨-9-基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.