Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester
TL;DR: Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester (CAS 92697-56-8) is a chemical compound with molecular formula C15H21N3O6 and molecular weight 339.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(diethylamino)ethylcarbamoyl]-4-hydroxy-5-nitrobenzoate
Also Known As: methyl3- -4-hydroxy-5-nitro-benzoate, ethyl (4-methylpiperazin-1-yl)(phenyl)acetate, ISOPHTHALAMIC ACID, N-(2-(DIETHYLAMINO)ETHYL)-6-HYDROXY-5-NITRO-, METHYL ESTER, methyl 3-(2-diethylaminoethylcarbamoyl)-4-hydroxy-5-nitrobenzoate, N-(2-(Diethylamino)ethyl)-6-hydroxy-5-nitro-isophthalamic acid methyl ester
| Molecular Formula | C15H21N3O6 |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 339.14304 |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 92697-56-8 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)C1=C(C(=CC(=C1)C(=O)OC)[N+](=O)[O-])O |
| InChIKey | VGIZFCODQYHHLZ-UHFFFAOYSA-N |
Product Overview
Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester (CAS 92697-56-8), with molecular formula C15H21N3O6 and molecular weight 339.14 g/mol. IUPAC: methyl 3-[2-(diethylamino)ethylcarbamoyl]-4-hydroxy-5-nitrobenzoate.
Chemical Property Profile of Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester
Property Insights of Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester. Following Lipinski's Rule of Five, Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester 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
Frequently Asked Questions
What is the CAS number of Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester?
The CAS number of Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester is 92697-56-8.
What is the molecular formula of Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester?
The molecular formula of Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester is C15H21N3O6.
What is the molecular weight of Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester?
The molecular weight of Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester is 339.14 g/mol.
Where can I buy Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester?
You can request a quote for Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl 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-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isophthalamic acid, N-(2-(diethylamino)ethyl)-6-hydroxy-5-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.