3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione
TL;DR: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione (CAS 89003-40-7) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione
Also Known As: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione, 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-, 3-[(3,4-Dihydroisoquinolin-2(1H)-yl)methyl]-1,3-diazinane-2,4-dione
| Molecular Formula | C14H17N3O2 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.13208 |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 89003-40-7 |
|---|---|
| SMILES | C1CNC(=O)N(C1=O)CN2CCC3=CC=CC=C3C2 |
| InChIKey | YDBQGQOPFXGYCA-UHFFFAOYSA-N |
Product Overview
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione (CAS 89003-40-7), with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol. IUPAC: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione.
Chemical Property Profile of 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione
Property Insights of 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione. With a topological polar surface area (TPSA) of 52.7 Ų, 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione 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-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione?
The CAS number of 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione is 89003-40-7.
What is the molecular formula of 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione?
The molecular formula of 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione is C14H17N3O2.
What is the molecular weight of 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione?
The molecular weight of 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione is 259.13 g/mol.
Where can I buy 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione?
You can request a quote for 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.