A2791/0117918
TL;DR: A2791/0117918 (CAS 378779-76-1) is a chemical compound with molecular formula C20H26N4O5 and molecular weight 402.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]benzoate
Also Known As: A2791/0117918, 2-(Diethylamino)ethyl 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]benzoate, 2-(diethylamino)ethyl 4-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate, 2-(DIETHYLAMINO)ETHYL 4-{[(1,3-DIMETHYL-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE)METHYL]AMINO}BENZOATE, 2-(diethylamino)ethyl 4-{[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
| Molecular Formula | C20H26N4O5 |
|---|---|
| Molecular Weight | 402.19 g/mol |
| LogP | 1.0388 |
| Topological Polar Surface Area | 106.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.1903 |
| Heavy Atoms | 29 |
| Complexity | 1001.2572 |
Chemical Identifiers
| CAS Number | 378779-76-1 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=CC2=C(N(C(=O)N(C2=O)C)C)O |
Product Overview
A2791/0117918 (CAS 378779-76-1), with molecular formula C20H26N4O5 and molecular weight 402.19 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]benzoate.
Chemical Property Profile of A2791/0117918
Property Insights of A2791/0117918
The XLogP value of 1.0388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2791/0117918. The TPSA of 106.13 Ų falls within the moderate polarity range, balancing permeability and solubility for A2791/0117918. Following Lipinski's Rule of Five, A2791/0117918 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 A2791/0117918?
The CAS number of A2791/0117918 is 378779-76-1.
What is the molecular formula of A2791/0117918?
The molecular formula of A2791/0117918 is C20H26N4O5.
What is the molecular weight of A2791/0117918?
The molecular weight of A2791/0117918 is 402.19 g/mol.
Where can I buy A2791/0117918?
You can request a quote for A2791/0117918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2791/0117918?
Yes, KEHONG BIO provides custom synthesis services for A2791/0117918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.