1,2-Propanediamine,diacetate
TL;DR: 1,2-Propanediamine,diacetate (CAS 60077-42-1) is a chemical compound with molecular formula C22H13NO6S and molecular weight 419.04636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-dioxoinden-2-yl)-7-oxo-4H-benzo[f]quinoline-9-sulfonic acid
Also Known As: 1,2-Propanediamine,diacetate, 3-(1,3-dioxo-2,3-dihydro-1h-inden-2-yl)-7-oxo-4,7-dihydrobenzo[f]quinoline-9-sulfonic acid, 3-(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)-7-hydroxybenzo(f)quinoline-9-sulphonic acid, 3-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-7-hydroxybenzo[f]quinoline-9-sulphonic acid, Benzo[f]quinoline-9-sulfonicacid, 3-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-7-hydroxy-
Technical Specifications
| Molecular Formula | C22H13NO6S |
| Molecular Weight | 419.04636 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.04636 Da |
| Heavy Atoms | 30 |
| Complexity | 1180.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C4C(=CC=C5C4=CC(=CC5=O)S(=O)(=O)O)N3 |
| InChIKey | RZJGXXIFLNYAND-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Propanediamine,diacetate
Property Insights of 1,2-Propanediamine,diacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediamine,diacetate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanediamine,diacetate. Following Lipinski's Rule of Five, 1,2-Propanediamine,diacetate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Propanediamine,diacetate?
The CAS number of 1,2-Propanediamine,diacetate is 60077-42-1.
What is the molecular formula of 1,2-Propanediamine,diacetate?
The molecular formula of 1,2-Propanediamine,diacetate is C22H13NO6S.
What is the molecular weight of 1,2-Propanediamine,diacetate?
The molecular weight of 1,2-Propanediamine,diacetate is 419.04636 g/mol.
Where can I buy 1,2-Propanediamine,diacetate?
You can request a quote for 1,2-Propanediamine,diacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Propanediamine,diacetate?
Yes, CoreyChem provides custom synthesis services for 1,2-Propanediamine,diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.