2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile
TL;DR: 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile (CAS 100245-95-2) is a chemical compound with molecular formula C9H7Cl2N3 and molecular weight 227.00171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile
Also Known As: EX-A7811H, 2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile, 2,4-dichloro-5,6,7,8-tetrahydro-quinazoline-6-carbonitrile, 6-Quinazolinecarbonitrile, 2,4-dichloro-5,6,7,8-tetrahydro-
Technical Specifications
| Molecular Formula | C9H7Cl2N3 |
| Molecular Weight | 227.00171 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.00171 Da |
| Heavy Atoms | 14 |
| Complexity | 262.0 |
| SMILES | C1CC2=C(CC1C#N)C(=NC(=N2)Cl)Cl |
| InChIKey | JCABNLBUGXAOQK-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile
Property Insights of 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile. With a topological polar surface area (TPSA) of 49.6 Ų, 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile 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
What is the CAS number of 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile?
The CAS number of 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile is 100245-95-2.
What is the molecular formula of 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile?
The molecular formula of 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile is C9H7Cl2N3.
What is the molecular weight of 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile?
The molecular weight of 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile is 227.00171 g/mol.
Where can I buy 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile?
You can request a quote for 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.