cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate
TL;DR: cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate (CAS 354993-00-3) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate
Also Known As: cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate, BAS 02592838, AJ-292/13893089, 3-(1,4-Dioxo-3,4-dihydro-1H-phthalazin-2-yl)-propionic acid cyclohexyl ester, cyclohexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
| Molecular Formula | C17H20N2O4 |
|---|---|
| Molecular Weight | 316.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.1423 |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 354993-00-3 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2 |
| InChIKey | KXVAOSVMOONRFR-UHFFFAOYSA-N |
Product Overview
cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate (CAS 354993-00-3), with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol. IUPAC: cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate.
Chemical Property Profile of cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate
Property Insights of cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate. Following Lipinski's Rule of Five, cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate 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 cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate?
The CAS number of cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate is 354993-00-3.
What is the molecular formula of cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate?
The molecular formula of cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate is C17H20N2O4.
What is the molecular weight of cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate?
The molecular weight of cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate is 316.14 g/mol.
Where can I buy cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate?
You can request a quote for cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.