4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile
TL;DR: 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile (CAS 70259-79-9) is a chemical compound with molecular formula C15H20BrN3O and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-(diethylamino)-1-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile
Also Known As: 4-bromo-3-(diethylamino)-1-methoxy-3,4-dihydro-1H-isoquinoli, 2(1H)-Isoquinolinecarbonitrile, 4-bromo-3-(diethylamino)-3,4-dihydro-1-methoxy-, 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile, 4-bromo-3-(diethylamino)-1-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile
| Molecular Formula | C15H20BrN3O |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.07898 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 70259-79-9 |
|---|---|
| SMILES | CCN(CC)C1C(C2=CC=CC=C2C(N1C#N)OC)Br |
| InChIKey | REOPBVZRCQRTJV-UHFFFAOYSA-N |
Product Overview
4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile (CAS 70259-79-9), with molecular formula C15H20BrN3O and molecular weight 337.08 g/mol. IUPAC: 4-bromo-3-(diethylamino)-1-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile.
Chemical Property Profile of 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile
Property Insights of 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile
The XLogP value of 3.3 indicates that 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.5 Ų, 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile has 0 hydrogen bond donor(s) and 4 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-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile?
The CAS number of 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile is 70259-79-9.
What is the molecular formula of 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile?
The molecular formula of 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile is C15H20BrN3O.
What is the molecular weight of 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile?
The molecular weight of 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile is 337.08 g/mol.
Where can I buy 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile?
You can request a quote for 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-(diethylamino)-1-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.