Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester
TL;DR: Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester (CAS 169141-89-3) is a chemical compound with molecular formula C11H18N2O4 and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1,3-diazinan-2-ylidene)propanedioate
Also Known As: diethyl 2-(1,3-diazinan-2-ylidene)propanedioate, Diethyl (1,3-diazinan-2-ylidene)propanedioate, Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester, Propanedioic acid,(tetrahydro-2(1H)-pyrimidinylidene)-,diethyl ester
| Molecular Formula | C11H18N2O4 |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | -0.0929 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.12666 |
| Heavy Atoms | 17 |
| Complexity | 297.4331 |
Chemical Identifiers
| CAS Number | 169141-89-3 |
|---|---|
| SMILES | CCOC(=O)C(=C1NCCCN1)C(=O)OCC |
Product Overview
Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester (CAS 169141-89-3), with molecular formula C11H18N2O4 and molecular weight 242.13 g/mol. IUPAC: diethyl 2-(1,3-diazinan-2-ylidene)propanedioate.
Chemical Property Profile of Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester
Property Insights of Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester
The XLogP value of -0.0929 indicates that Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester has 2 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 Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester?
The CAS number of Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester is 169141-89-3.
What is the molecular formula of Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester?
The molecular formula of Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester is C11H18N2O4.
What is the molecular weight of Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester?
The molecular weight of Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester is 242.13 g/mol.
Where can I buy Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester?
You can request a quote for Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, 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, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.