RefChem:1068072
TL;DR: RefChem:1068072 (CAS 5256-51-9) is a chemical compound with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxoisoquinoline-3-carboxamide
Also Known As: 3-Isoquinolinecarboxamide, 1,2-dihydro-2,4-dimethyl-N-(2-(dimethylamino)ethyl)-1-oxo-, 2,4-Dimethyl-N-(2-(dimethylamino)ethyl)-1-oxo-1,2-dihydro-3-isoquinolinecarboxamide, N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxamide, N-(2-dimethylaminoethyl)-2,4-dimethyl-1-oxoisoquinoline-3-carboxamide, 1,2-Dihydro-2,4-dimethyl-N-(2-dimethylaminoethyl)-1-oxo-3-isoquinolinecarboxamide
| Molecular Formula | C16H21N3O2 |
|---|---|
| Molecular Weight | 287.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.1634 |
| Heavy Atoms | 21 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 5256-51-9 |
|---|---|
| SMILES | CC1=C(N(C(=O)C2=CC=CC=C12)C)C(=O)NCCN(C)C |
| InChIKey | BCVKSZPWGBGKRX-UHFFFAOYSA-N |
Product Overview
RefChem:1068072 (CAS 5256-51-9), with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol. IUPAC: N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxoisoquinoline-3-carboxamide.
Chemical Property Profile of RefChem:1068072
Property Insights of RefChem:1068072
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068072. With a topological polar surface area (TPSA) of 52.7 Ų, RefChem:1068072 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068072 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 RefChem:1068072?
The CAS number of RefChem:1068072 is 5256-51-9.
What is the molecular formula of RefChem:1068072?
The molecular formula of RefChem:1068072 is C16H21N3O2.
What is the molecular weight of RefChem:1068072?
The molecular weight of RefChem:1068072 is 287.16 g/mol.
Where can I buy RefChem:1068072?
You can request a quote for RefChem:1068072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068072?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.