![dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate structure](/static/products/827/827619-60-3.png)
dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate
TL;DR: dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate (CAS 827619-60-3) is a chemical compound with molecular formula C23H18N2O5S and molecular weight 434.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(phenothiazine-10-carbonylamino)benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate, dimethyl 2-(10H-phenothiazine-10-carboxamido)terephthalate, dimethyl 2-(phenothiazine-10-carbonylamino)benzene-1,4-dicarboxylate, methyl 4-(methoxycarbonyl)-3-(phenothiazin-10-ylcarbonylamino)benzoate, dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]benzene-1,4-dicarboxylate
| Molecular Formula | C23H18N2O5S |
|---|---|
| Molecular Weight | 434.09 g/mol |
| LogP | 5.0946 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.09363 |
| Heavy Atoms | 31 |
| Complexity | 1148.5892 |
Chemical Identifiers
| CAS Number | 827619-60-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 |
Product Overview
dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate (CAS 827619-60-3), with molecular formula C23H18N2O5S and molecular weight 434.09 g/mol. IUPAC: dimethyl 2-(phenothiazine-10-carbonylamino)benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate
Property Insights of dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate
The XLogP value of 5.0946 indicates that dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate. Following Lipinski's Rule of Five, dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate?
The CAS number of dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate is 827619-60-3.
What is the molecular formula of dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate?
The molecular formula of dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate is C23H18N2O5S.
What is the molecular weight of dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate?
The molecular weight of dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate is 434.09 g/mol.
Where can I buy dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate?
You can request a quote for dimethyl 2-[(10H-phenothiazin-10-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-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.