1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester
TL;DR: 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester (CAS 25947-15-3) is a chemical compound with molecular formula C12H11ClN2O3 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
Also Known As: 2-chloroethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate, 2-chloroethyl 2-(4-oxo-3-hydrophthalazinyl)acetate, 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester, 2-Chloroethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate
| Molecular Formula | C12H11ClN2O3 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 1.2476 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0458 |
| Heavy Atoms | 18 |
| Complexity | 623.9938 |
Chemical Identifiers
| CAS Number | 25947-15-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCCCl |
Product Overview
1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester (CAS 25947-15-3), with molecular formula C12H11ClN2O3 and molecular weight 266.05 g/mol. IUPAC: 2-chloroethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate.
Chemical Property Profile of 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester
Property Insights of 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester
The XLogP value of 1.2476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester. Following Lipinski's Rule of Five, 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester has 1 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 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester?
The CAS number of 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester is 25947-15-3.
What is the molecular formula of 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester?
The molecular formula of 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester is C12H11ClN2O3.
What is the molecular weight of 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester?
The molecular weight of 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester is 266.05 g/mol.
Where can I buy 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester?
You can request a quote for 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, 2-chloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.