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Diethyl 2-(benzo[d]thiazol-2-yl)malonate
TL;DR: Diethyl 2-(benzo[d]thiazol-2-yl)malonate (CAS 29198-44-5) is a chemical compound with molecular formula C14H15NO4S and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1,3-benzothiazol-2-yl)propanedioate
Also Known As: diethyl 2-(benzo[d]thiazol-2-yl)malonate, (2-Benzothiazolyl)malonic acid diethyl ester, diethyl 2-(1,3-benzothiazol-2-yl)malonate, Diethyl (1,3-benzothiazol-2-yl)propanedioate, diethyl 2-benzothiazol-2-ylpropane-1,3-dioate
| Molecular Formula | C14H15NO4S |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 2.5061 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.07217 |
| Heavy Atoms | 20 |
| Complexity | 571.4164 |
Chemical Identifiers
| CAS Number | 29198-44-5 |
|---|---|
| SMILES | CCOC(=O)C(C1=NC2=CC=CC=C2S1)C(=O)OCC |
Product Overview
Diethyl 2-(benzo[d]thiazol-2-yl)malonate (CAS 29198-44-5), with molecular formula C14H15NO4S and molecular weight 293.07 g/mol. IUPAC: diethyl 2-(1,3-benzothiazol-2-yl)propanedioate.
Chemical Property Profile of Diethyl 2-(benzo[d]thiazol-2-yl)malonate
Property Insights of Diethyl 2-(benzo[d]thiazol-2-yl)malonate
The XLogP value of 2.5061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(benzo[d]thiazol-2-yl)malonate. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(benzo[d]thiazol-2-yl)malonate. Following Lipinski's Rule of Five, Diethyl 2-(benzo[d]thiazol-2-yl)malonate has 0 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 Diethyl 2-(benzo[d]thiazol-2-yl)malonate?
The CAS number of Diethyl 2-(benzo[d]thiazol-2-yl)malonate is 29198-44-5.
What is the molecular formula of Diethyl 2-(benzo[d]thiazol-2-yl)malonate?
The molecular formula of Diethyl 2-(benzo[d]thiazol-2-yl)malonate is C14H15NO4S.
What is the molecular weight of Diethyl 2-(benzo[d]thiazol-2-yl)malonate?
The molecular weight of Diethyl 2-(benzo[d]thiazol-2-yl)malonate is 293.07 g/mol.
Where can I buy Diethyl 2-(benzo[d]thiazol-2-yl)malonate?
You can request a quote for Diethyl 2-(benzo[d]thiazol-2-yl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(benzo[d]thiazol-2-yl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(benzo[d]thiazol-2-yl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.