![Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate structure](/static/products/7469/74695-17-3.webp)
Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate
TL;DR: Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate (CAS 74695-17-3) is a chemical compound with molecular formula C14H17NO6S and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(2-methoxycarbonylthiophen-3-yl)amino]methylidene]propanedioate
Also Known As: diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate, diethyl 2-[[(2-methoxycarbonylthiophen-3-yl)amino]methylidene]propanedioate, 1,3-diethyl 2-({[2-(methoxycarbonyl)thiophen-3-yl]amino}methylidene)propanedioate, Diethyl 2-(((2-(methoxycarbonyl)thiophen-3-yl)amino)methylene)malonate, diethyl 2-[[(2-methoxycarbonyl-3-thienyl)amino]methylene]propanedioate
| Molecular Formula | C14H17NO6S |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 1.9567 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.07767 |
| Heavy Atoms | 22 |
| Complexity | 557.6431 |
Chemical Identifiers
| CAS Number | 74695-17-3 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=C(SC=C1)C(=O)OC)C(=O)OCC |
Product Overview
Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate (CAS 74695-17-3), with molecular formula C14H17NO6S and molecular weight 327.08 g/mol. IUPAC: diethyl 2-[[(2-methoxycarbonylthiophen-3-yl)amino]methylidene]propanedioate.
Chemical Property Profile of Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate
Property Insights of Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate
The XLogP value of 1.9567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate. Following Lipinski's Rule of Five, Diethyl ({[2-(methoxycarbonyl)-3-thienyl]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-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate?
The CAS number of Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate is 74695-17-3.
What is the molecular formula of Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate?
The molecular formula of Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate is C14H17NO6S.
What is the molecular weight of Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate?
The molecular weight of Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate is 327.08 g/mol.
Where can I buy Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate?
You can request a quote for Diethyl ({[2-(methoxycarbonyl)-3-thienyl]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-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ({[2-(methoxycarbonyl)-3-thienyl]amino}methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.