ChemDiv3_011885
TL;DR: ChemDiv3_011885 (CAS 893700-25-9) is a chemical compound with molecular formula C18H17N5O3 and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-morpholin-4-ylethyl)-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: ChemDiv3_011885, IDI1_029443, 1-(2-MORPHOLINOETHYL)-2,5-DIOXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-3-YL CYANIDE, 1-(2-morpholinoethyl)-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 1-[2-(morpholin-4-yl)ethyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
| Molecular Formula | C18H17N5O3 |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.13315 |
| Heavy Atoms | 26 |
| Complexity | 865.0 |
Chemical Identifiers
| CAS Number | 893700-25-9 |
|---|---|
| SMILES | C1COCCN1CCN2C3=C(C=C(C2=O)C#N)C(=O)N4C=CC=CC4=N3 |
| InChIKey | MXDRIMMNVDLWSR-UHFFFAOYSA-N |
Product Overview
ChemDiv3_011885 (CAS 893700-25-9), with molecular formula C18H17N5O3 and molecular weight 351.13 g/mol. IUPAC: 7-(2-morpholin-4-ylethyl)-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of ChemDiv3_011885
Property Insights of ChemDiv3_011885
The XLogP value of -0.5 indicates that ChemDiv3_011885 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_011885. Following Lipinski's Rule of Five, ChemDiv3_011885 has 0 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 ChemDiv3_011885?
The CAS number of ChemDiv3_011885 is 893700-25-9.
What is the molecular formula of ChemDiv3_011885?
The molecular formula of ChemDiv3_011885 is C18H17N5O3.
What is the molecular weight of ChemDiv3_011885?
The molecular weight of ChemDiv3_011885 is 351.13 g/mol.
Where can I buy ChemDiv3_011885?
You can request a quote for ChemDiv3_011885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011885?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.