![Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester structure](/static/products/2141/21418-25-7.webp)
Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester
TL;DR: Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester (CAS 21418-25-7) is a chemical compound with molecular formula C15H16N2O4S and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(1,3-benzothiazol-2-ylamino)methylidene]propanedioate
Also Known As: 2-Pyridinecarbamonitrile(8CI), Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester, diethyl 2-[(1,3-benzothiazol-2-ylamino)methylidene]propanedioate, Diethyl 2-[(benzothiazol-2-ylamino)methylidene]propanedioate, Diethyl {[(1,3-benzothiazol-2-yl)amino]methylidene}propanedioate
| Molecular Formula | C15H16N2O4S |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 2.7183 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.08307 |
| Heavy Atoms | 22 |
| Complexity | 655.3853 |
Chemical Identifiers
| CAS Number | 21418-25-7 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=NC2=CC=CC=C2S1)C(=O)OCC |
Product Overview
Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester (CAS 21418-25-7), with molecular formula C15H16N2O4S and molecular weight 320.08 g/mol. IUPAC: diethyl 2-[(1,3-benzothiazol-2-ylamino)methylidene]propanedioate.
Chemical Property Profile of Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester
Property Insights of Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester
The XLogP value of 2.7183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester 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 Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester?
The CAS number of Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester is 21418-25-7.
What is the molecular formula of Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester?
The molecular formula of Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester is C15H16N2O4S.
What is the molecular weight of Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester?
The molecular weight of Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester is 320.08 g/mol.
Where can I buy Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester?
You can request a quote for Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, [(2-benzothiazolylamino)methylene]-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.