酞嗪甲腈
TL;DR: 酞嗪甲腈 (CAS 7694-81-7) is a chemical compound with molecular formula C9H5N3 and molecular weight 155.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酞嗪甲腈
phthalazine-1-carbonitrile
Also Known As: 1-Phthalazinecarbonitrile, phthalazine-1-carbonitrile, Phthalazine carbonitrile, RefChem:173987
| Molecular Formula | C9H5N3 |
|---|---|
| Molecular Weight | 155.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.04834 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 7694-81-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NN=C2C#N |
| InChIKey | ZVARSCKGTCVGPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酞嗪甲腈 (CAS 7694-81-7), with molecular formula C9H5N3 and molecular weight 155.05 g/mol. IUPAC: phthalazine-1-carbonitrile.
Chemical Property Profile of 酞嗪甲腈
Property Insights of 酞嗪甲腈
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 酞嗪甲腈. With a topological polar surface area (TPSA) of 49.6 Ų, 酞嗪甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 酞嗪甲腈 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 酞嗪甲腈?
The CAS number of 酞嗪甲腈 is 7694-81-7.
What is the molecular formula of 酞嗪甲腈?
The molecular formula of 酞嗪甲腈 is C9H5N3.
What is the molecular weight of 酞嗪甲腈?
The molecular weight of 酞嗪甲腈 is 155.05 g/mol.
Where can I buy 酞嗪甲腈?
You can request a quote for 酞嗪甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酞嗪甲腈?
Yes, KEHONG BIO provides custom synthesis services for 酞嗪甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.