![Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate structure](/static/products/852/852398-46-0.png)
Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate
TL;DR: Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate (CAS 852398-46-0) is a chemical compound with molecular formula C18H18N2O6 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2-ethoxypyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(2-ethoxynicotinamido)isophthalate, AO-854/43447507, dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate, dimethyl 5-[(2-ethoxypyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate
| Molecular Formula | C18H18N2O6 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 2.3058 |
| Topological Polar Surface Area | 103.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.1165 |
| Heavy Atoms | 26 |
| Complexity | 799.9311 |
Chemical Identifiers
| CAS Number | 852398-46-0 |
|---|---|
| SMILES | CCOC1=C(C=CC=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate (CAS 852398-46-0), with molecular formula C18H18N2O6 and molecular weight 358.12 g/mol. IUPAC: dimethyl 5-[(2-ethoxypyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate
Property Insights of Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate
The XLogP value of 2.3058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate. The TPSA of 103.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate has 1 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 Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate?
The CAS number of Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate is 852398-46-0.
What is the molecular formula of Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate?
The molecular formula of Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate is C18H18N2O6.
What is the molecular weight of Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate?
The molecular weight of Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate is 358.12 g/mol.
Where can I buy Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate?
You can request a quote for Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[(2-ethoxy-3-pyridinyl)carbonyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.