Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate (CAS 438538-58-0) is a chemical compound with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate, Dimethyl 5-(benzo[d]thiazol-2-ylamino)isophthalate, 1,3-dimethyl 5-[(1,3-benzothiazol-2-yl)amino]benzene-1,3-dicarboxylate, DIMETHYL 5-(1,3-BENZOTHIAZOL-2-YLAMINO)ISOPHTHALATE, methyl 5-(benzothiazol-2-ylamino)-3-(methoxycarbonyl)benzoate
| Molecular Formula | C17H14N2O4S |
|---|---|
| Molecular Weight | 342.07 g/mol |
| LogP | 3.6131 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.0674 |
| Heavy Atoms | 24 |
| Complexity | 852.5995 |
Chemical Identifiers
| CAS Number | 438538-58-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC2=NC3=CC=CC=C3S2)C(=O)OC |
Product Overview
Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate (CAS 438538-58-0), with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol. IUPAC: dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate
The XLogP value of 3.6131 indicates that Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate has 1 hydrogen bond donor(s) and 7 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-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate is 438538-58-0.
What is the molecular formula of Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate is C17H14N2O4S.
What is the molecular weight of Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate is 342.07 g/mol.
Where can I buy Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(1,3-benzothiazol-2-ylamino)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.