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dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate
TL;DR: dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate (CAS 313385-70-5) is a chemical compound with molecular formula C24H19NO6 and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(9H-xanthene-9-carbonylamino)benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate, 1,4-dimethyl 2-(9H-xanthene-9-amido)benzene-1,4-dicarboxylate, dimethyl 2-(9H-xanthene-9-carbonylamino)benzene-1,4-dicarboxylate, dimethyl 2-(9H-xanthene-9-carboxamido)terephthalate, methyl 4-(methoxycarbonyl)-3-(xanthen-9-ylcarbonylamino)benzoate
| Molecular Formula | C24H19NO6 |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 4.1361 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.12125 |
| Heavy Atoms | 31 |
| Complexity | 1140.692 |
Chemical Identifiers
| CAS Number | 313385-70-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 |
Product Overview
dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate (CAS 313385-70-5), with molecular formula C24H19NO6 and molecular weight 417.12 g/mol. IUPAC: dimethyl 2-(9H-xanthene-9-carbonylamino)benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate
Property Insights of dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate
The XLogP value of 4.1361 indicates that dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate. Following Lipinski's Rule of Five, dimethyl 2-[(9H-xanthen-9-ylcarbonyl)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-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate?
The CAS number of dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate is 313385-70-5.
What is the molecular formula of dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate?
The molecular formula of dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate is C24H19NO6.
What is the molecular weight of dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate?
The molecular weight of dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate is 417.12 g/mol.
Where can I buy dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate?
You can request a quote for dimethyl 2-[(9H-xanthen-9-ylcarbonyl)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-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-[(9H-xanthen-9-ylcarbonyl)amino]terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.