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Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate
TL;DR: Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate (CAS 329042-89-9) is a chemical compound with molecular formula C20H19NO5 and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2-phenylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate, dimethyl 5-(2-phenylcyclopropanecarboxamido)isophthalate, dimethyl 5-[(2-phenylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C20H19NO5 |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.002 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.1263 |
| Heavy Atoms | 26 |
| Complexity | 812.285 |
Chemical Identifiers
| CAS Number | 329042-89-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)C2CC2C3=CC=CC=C3)C(=O)OC |
Product Overview
Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate (CAS 329042-89-9), with molecular formula C20H19NO5 and molecular weight 353.13 g/mol. IUPAC: dimethyl 5-[(2-phenylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate
Property Insights of Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate
The XLogP value of 3.002 indicates that Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate has 1 hydrogen bond donor(s) and 5 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-phenylcyclopropyl)carbonyl]amino}isophthalate?
The CAS number of Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate is 329042-89-9.
What is the molecular formula of Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate?
The molecular formula of Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate is C20H19NO5.
What is the molecular weight of Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate?
The molecular weight of Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate is 353.13 g/mol.
Where can I buy Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate?
You can request a quote for Dimethyl 5-{[(2-phenylcyclopropyl)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-phenylcyclopropyl)carbonyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[(2-phenylcyclopropyl)carbonyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.