3-N,3-N-二乙基异喹啉-1,3-二胺
TL;DR: 3-N,3-N-二乙基异喹啉-1,3-二胺 (CAS 58814-56-5) is a chemical compound with molecular formula C13H17N3 and molecular weight 215.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N,3-N-二乙基异喹啉-1,3-二胺
3-N,3-N-diethylisoquinoline-1,3-diamine
Also Known As: 1,3-Isoquinolinediamine, N3,N3-diethyl-, N',N'-diethylisoquinoline-1,3-diamine, 3-N,3-N-diethylisoquinoline-1,3-diamine
| Molecular Formula | C13H17N3 |
|---|---|
| Molecular Weight | 215.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.14224 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 58814-56-5 |
|---|---|
| SMILES | CCN(CC)C1=CC2=CC=CC=C2C(=N1)N |
| InChIKey | NLFFGHBJVIMUEG-UHFFFAOYSA-N |
Product Overview
3-N,3-N-二乙基异喹啉-1,3-二胺 (CAS 58814-56-5), with molecular formula C13H17N3 and molecular weight 215.14 g/mol. IUPAC: 3-N,3-N-diethylisoquinoline-1,3-diamine.
Chemical Property Profile of 3-N,3-N-二乙基异喹啉-1,3-二胺
Property Insights of 3-N,3-N-二乙基异喹啉-1,3-二胺
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-N,3-N-二乙基异喹啉-1,3-二胺. With a topological polar surface area (TPSA) of 42.2 Ų, 3-N,3-N-二乙基异喹啉-1,3-二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-N,3-N-二乙基异喹啉-1,3-二胺 has 1 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 3-N,3-N-二乙基异喹啉-1,3-二胺?
The CAS number of 3-N,3-N-二乙基异喹啉-1,3-二胺 is 58814-56-5.
What is the molecular formula of 3-N,3-N-二乙基异喹啉-1,3-二胺?
The molecular formula of 3-N,3-N-二乙基异喹啉-1,3-二胺 is C13H17N3.
What is the molecular weight of 3-N,3-N-二乙基异喹啉-1,3-二胺?
The molecular weight of 3-N,3-N-二乙基异喹啉-1,3-二胺 is 215.14 g/mol.
Where can I buy 3-N,3-N-二乙基异喹啉-1,3-二胺?
You can request a quote for 3-N,3-N-二乙基异喹啉-1,3-二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-N,3-N-二乙基异喹啉-1,3-二胺?
Yes, KEHONG BIO provides custom synthesis services for 3-N,3-N-二乙基异喹啉-1,3-二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.