1,3-Bis-(carboethoxymethyl)-
TL;DR: 1,3-Bis-(carboethoxymethyl)- (CAS 61571-09-3) is a chemical compound with molecular formula C16H24N2O7 and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
Also Known As: 1,3-Bis-(carboethoxymethyl)-, 1,3(2H,4H)-Pyrimidinediacetic acid, dihydro-5,5-diethyl-2,4,6-trioxo-, diethyl ester, Diethyl dihydro-5,5-diethyl-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediacetate, Dihydro-5,5-diethyl-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediacetic acid diethyl ester, Diethyl 2,2'-(5,5-diethyl-2,4,6-trioxo-1,3-diazinane-1,3-diyl)diacetate
| Molecular Formula | C16H24N2O7 |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 0.7098 |
| Topological Polar Surface Area | 110.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.15836 |
| Heavy Atoms | 25 |
| Complexity | 524.83057 |
Chemical Identifiers
| CAS Number | 61571-09-3 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)OCC)CC(=O)OCC)CC |
Product Overview
1,3-Bis-(carboethoxymethyl)- (CAS 61571-09-3), with molecular formula C16H24N2O7 and molecular weight 356.16 g/mol. IUPAC: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetate.
Chemical Property Profile of 1,3-Bis-(carboethoxymethyl)-
Property Insights of 1,3-Bis-(carboethoxymethyl)-
The XLogP value of 0.7098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis-(carboethoxymethyl)-. The TPSA of 110.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis-(carboethoxymethyl)-. Following Lipinski's Rule of Five, 1,3-Bis-(carboethoxymethyl)- has 0 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 1,3-Bis-(carboethoxymethyl)-?
The CAS number of 1,3-Bis-(carboethoxymethyl)- is 61571-09-3.
What is the molecular formula of 1,3-Bis-(carboethoxymethyl)-?
The molecular formula of 1,3-Bis-(carboethoxymethyl)- is C16H24N2O7.
What is the molecular weight of 1,3-Bis-(carboethoxymethyl)-?
The molecular weight of 1,3-Bis-(carboethoxymethyl)- is 356.16 g/mol.
Where can I buy 1,3-Bis-(carboethoxymethyl)-?
You can request a quote for 1,3-Bis-(carboethoxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis-(carboethoxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis-(carboethoxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.