4-(1-Aziridinyl)-6,7-dichlorocinnoline
TL;DR: 4-(1-Aziridinyl)-6,7-dichlorocinnoline (CAS 68211-06-3) is a chemical compound with molecular formula C10H7Cl2N3 and molecular weight 239.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aziridin-1-yl)-6,7-dichlorocinnoline
Also Known As: 4-(1-Aziridinyl)-6,7-dichlorocinnoline, 4-(aziridin-1-yl)-6,7-dichlorocinnoline, 4-Aziridino-6,7-dichlorcinnolin, 4-(aziridin-1-yl)-6,7-dichloro-cinnoline, Cinnoline, 4-(1-aziridinyl)-6,7-dichloro-
| Molecular Formula | C10H7Cl2N3 |
|---|---|
| Molecular Weight | 239.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 28.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.00171 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 68211-06-3 |
|---|---|
| SMILES | C1CN1C2=CN=NC3=CC(=C(C=C32)Cl)Cl |
| InChIKey | XWXCEGXPWVHEEL-UHFFFAOYSA-N |
Product Overview
4-(1-Aziridinyl)-6,7-dichlorocinnoline (CAS 68211-06-3), with molecular formula C10H7Cl2N3 and molecular weight 239.00 g/mol. IUPAC: 4-(aziridin-1-yl)-6,7-dichlorocinnoline.
Chemical Property Profile of 4-(1-Aziridinyl)-6,7-dichlorocinnoline
Property Insights of 4-(1-Aziridinyl)-6,7-dichlorocinnoline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Aziridinyl)-6,7-dichlorocinnoline. With a topological polar surface area (TPSA) of 28.8 Ų, 4-(1-Aziridinyl)-6,7-dichlorocinnoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Aziridinyl)-6,7-dichlorocinnoline 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 4-(1-Aziridinyl)-6,7-dichlorocinnoline?
The CAS number of 4-(1-Aziridinyl)-6,7-dichlorocinnoline is 68211-06-3.
What is the molecular formula of 4-(1-Aziridinyl)-6,7-dichlorocinnoline?
The molecular formula of 4-(1-Aziridinyl)-6,7-dichlorocinnoline is C10H7Cl2N3.
What is the molecular weight of 4-(1-Aziridinyl)-6,7-dichlorocinnoline?
The molecular weight of 4-(1-Aziridinyl)-6,7-dichlorocinnoline is 239.00 g/mol.
Where can I buy 4-(1-Aziridinyl)-6,7-dichlorocinnoline?
You can request a quote for 4-(1-Aziridinyl)-6,7-dichlorocinnoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Aziridinyl)-6,7-dichlorocinnoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Aziridinyl)-6,7-dichlorocinnoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.