Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester
TL;DR: Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester (CAS 95136-50-8) is a chemical compound with molecular formula C22H22N4O7 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-hydroxy-3-nitrobenzoate
Also Known As: SC 246, 5-25-14-00115 (Beilstein Handbook Reference), ISOPHTHALAMIC ACID, N-ANTIPYRINYL-4-HYDROXY-5-NITRO-, PROPYL ESTER, N-Antipyrinyl-4-hydroxy-5-nitro-isophthalamic acid propyl ester, PROPYL5-[(1,5-DIMETHYL-3-OXO-2-PHENYLPYRAZOL-4-YL)CARBAMOYL]-2-HYDROXY-3-NITROBENZOATE
| Molecular Formula | C22H22N4O7 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.14883 |
| Heavy Atoms | 33 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 95136-50-8 |
|---|---|
| SMILES | CCCOC(=O)C1=C(C(=CC(=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-])O |
| InChIKey | AOOLJUYMLKYKFS-UHFFFAOYSA-N |
Product Overview
Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester (CAS 95136-50-8), with molecular formula C22H22N4O7 and molecular weight 454.15 g/mol. IUPAC: propyl 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-hydroxy-3-nitrobenzoate.
Chemical Property Profile of Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester
Property Insights of Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester
The XLogP value of 3.8 indicates that Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester has 2 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 Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester?
The CAS number of Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester is 95136-50-8.
What is the molecular formula of Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester?
The molecular formula of Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester is C22H22N4O7.
What is the molecular weight of Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester?
The molecular weight of Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester is 454.15 g/mol.
Where can I buy Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester?
You can request a quote for Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isophthalamic acid, N-antipyrinyl-4-hydroxy-5-nitro-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.