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Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate
TL;DR: Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate (CAS 544700-48-3) is a chemical compound with molecular formula C19H15Cl2NO5 and molecular weight 407.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate, (E)-dimethyl 5-(3-(2,6-dichlorophenyl)acrylamido)isophthalate, dimethyl 5-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate, dimethyl 5-{[(2E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino}benzene-1,3-dicarboxylate, methyl 5-[(2E)-3-(2,6-dichlorophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)ben zoate
| Molecular Formula | C19H15Cl2NO5 |
|---|---|
| Molecular Weight | 407.03 g/mol |
| LogP | 4.2185 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.0327 |
| Heavy Atoms | 27 |
| Complexity | 869.81116 |
Chemical Identifiers
| CAS Number | 544700-48-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)/C=C/C2=C(C=CC=C2Cl)Cl)C(=O)OC |
Product Overview
Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate (CAS 544700-48-3), with molecular formula C19H15Cl2NO5 and molecular weight 407.03 g/mol. IUPAC: dimethyl 5-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate
Property Insights of Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate
The XLogP value of 4.2185 indicates that Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]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-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]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-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate?
The CAS number of Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate is 544700-48-3.
What is the molecular formula of Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate?
The molecular formula of Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate is C19H15Cl2NO5.
What is the molecular weight of Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate?
The molecular weight of Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate is 407.03 g/mol.
Where can I buy Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate?
You can request a quote for Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]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-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[3-(2,6-dichlorophenyl)acryloyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.