Preparation II
TL;DR: Preparation II (CAS 13613-88-2) is a chemical compound with molecular formula C21H33N2O7P and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylamino)ethyl]-2',6'-dimethylspiro[isoquinoline-4,4'-oxane]-1,3-dione;phosphoric acid
Also Known As: Preparation II, Spiro(isoquinoline-4(1H),4'-(4H)pyran)-1,3(2H)-dione, 2',3',5',6'-tetrahydro-2-(2-(diethylamino)ethyl)-2',6'-dimethyl-, phosphate (1:1), 2-(2-diethylaminoethyl)-2',6'-dimethylspiro[isoquinoline-4,4'-oxane]-1,3-dione; phosphoric acid, Phosphoric acid--2-[2-(diethylamino)ethyl]-2',6'-dimethyl-1H-spiro[isoquinoline-4,4'-oxane]-1,3(2H)-dione (1/1), RefChem:381120
| Molecular Formula | C21H33N2O7P |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 1.9074 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.20255 |
| Heavy Atoms | 31 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 13613-88-2 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)C2=CC=CC=C2C3(C1=O)CC(OC(C3)C)C.OP(=O)(O)O |
| InChIKey | OFQCQIGMURIECL-UHFFFAOYSA-N |
Product Overview
Preparation II (CAS 13613-88-2), with molecular formula C21H33N2O7P and molecular weight 456.20 g/mol. IUPAC: 2-[2-(diethylamino)ethyl]-2',6'-dimethylspiro[isoquinoline-4,4'-oxane]-1,3-dione;phosphoric acid.
Chemical Property Profile of Preparation II
Property Insights of Preparation II
The XLogP value of 1.9074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Preparation II. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Preparation II. Following Lipinski's Rule of Five, Preparation II has 3 hydrogen bond donor(s) and 8 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 Preparation II?
The CAS number of Preparation II is 13613-88-2.
What is the molecular formula of Preparation II?
The molecular formula of Preparation II is C21H33N2O7P.
What is the molecular weight of Preparation II?
The molecular weight of Preparation II is 456.20 g/mol.
Where can I buy Preparation II?
You can request a quote for Preparation II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Preparation II?
Yes, KEHONG BIO provides custom synthesis services for Preparation II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.