5-Dimethylaminomethyleneaminoisoquinoline
TL;DR: 5-Dimethylaminomethyleneaminoisoquinoline (CAS 101398-66-7) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-isoquinolin-5-yl-N,N-dimethylmethanimidamide
Also Known As: 5-Dimethylaminomethyleneaminoisoquinoline, NCI60_022665, FORMAMIDINE, N,N-DIMETHYL-N'-(5-ISOQUINOLINYL)-, N'-(5-isoquinolyl)-N,N-dimethyl-formamidine, n'-isoquinolin-5-yl-n,n-dimethylimidoformamide
| Molecular Formula | C12H13N3 |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.11095 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 101398-66-7 |
|---|---|
| SMILES | CN(C)C=NC1=CC=CC2=C1C=CN=C2 |
| InChIKey | YPZWGHLZEZRUQC-UHFFFAOYSA-N |
Product Overview
5-Dimethylaminomethyleneaminoisoquinoline (CAS 101398-66-7), with molecular formula C12H13N3 and molecular weight 199.11 g/mol. IUPAC: N'-isoquinolin-5-yl-N,N-dimethylmethanimidamide.
Chemical Property Profile of 5-Dimethylaminomethyleneaminoisoquinoline
Property Insights of 5-Dimethylaminomethyleneaminoisoquinoline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Dimethylaminomethyleneaminoisoquinoline. With a topological polar surface area (TPSA) of 28.5 Ų, 5-Dimethylaminomethyleneaminoisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Dimethylaminomethyleneaminoisoquinoline has 0 hydrogen bond donor(s) and 2 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 5-Dimethylaminomethyleneaminoisoquinoline?
The CAS number of 5-Dimethylaminomethyleneaminoisoquinoline is 101398-66-7.
What is the molecular formula of 5-Dimethylaminomethyleneaminoisoquinoline?
The molecular formula of 5-Dimethylaminomethyleneaminoisoquinoline is C12H13N3.
What is the molecular weight of 5-Dimethylaminomethyleneaminoisoquinoline?
The molecular weight of 5-Dimethylaminomethyleneaminoisoquinoline is 199.11 g/mol.
Where can I buy 5-Dimethylaminomethyleneaminoisoquinoline?
You can request a quote for 5-Dimethylaminomethyleneaminoisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Dimethylaminomethyleneaminoisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5-Dimethylaminomethyleneaminoisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.