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Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate
TL;DR: Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate (CAS 448241-35-8) is a chemical compound with molecular formula C17H15NO6 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(phenoxycarbonylamino)benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-[(phenoxycarbonyl)amino]terephthalate, UPCMLD0ENAT5970996:001, 1,4-dimethyl 2-[(phenoxycarbonyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-(phenoxycarbonylamino)benzene-1,4-dicarboxylate, methyl 4-(methoxycarbonyl)-3-(phenoxycarbonylamino)benzoate
| Molecular Formula | C17H15NO6 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.08994 |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 448241-35-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)OC2=CC=CC=C2 |
| InChIKey | JYLOVBIKEYPSER-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate (CAS 448241-35-8), with molecular formula C17H15NO6 and molecular weight 329.09 g/mol. IUPAC: dimethyl 2-(phenoxycarbonylamino)benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate
Property Insights of Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate
The XLogP value of 3.3 indicates that Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate has 1 hydrogen bond donor(s) and 6 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 2-[(phenoxycarbonyl)amino]terephthalate?
The CAS number of Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate is 448241-35-8.
What is the molecular formula of Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate?
The molecular formula of Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate is C17H15NO6.
What is the molecular weight of Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate?
The molecular weight of Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate is 329.09 g/mol.
Where can I buy Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate?
You can request a quote for Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(phenoxycarbonyl)amino]terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.