Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate
TL;DR: Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate (CAS 6124-12-5) is a chemical compound with molecular formula C11H15N3O4S and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methylidene]propanedioate
Also Known As: starbld0008902, diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate, VU0607330-1, F3250-0716, AF-407/14796162
| Molecular Formula | C11H15N3O4S |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 1.26852 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.07834 |
| Heavy Atoms | 19 |
| Complexity | 464.03976 |
Chemical Identifiers
| CAS Number | 6124-12-5 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=NN=C(S1)C)C(=O)OCC |
Product Overview
Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate (CAS 6124-12-5), with molecular formula C11H15N3O4S and molecular weight 285.08 g/mol. IUPAC: diethyl 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate
Property Insights of Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate
The XLogP value of 1.26852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate. The TPSA of 90.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate has 1 hydrogen bond donor(s) and 8 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-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate?
The CAS number of Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate is 6124-12-5.
What is the molecular formula of Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate?
The molecular formula of Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate is C11H15N3O4S.
What is the molecular weight of Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate?
The molecular weight of Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate is 285.08 g/mol.
Where can I buy Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate?
You can request a quote for Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)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-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(((5-methyl-1,3,4-thiadiazol-2-yl)amino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.