ChemDiv2_006578
TL;DR: ChemDiv2_006578 (CAS 851940-54-0) is a chemical compound with molecular formula C18H27N5O5 and molecular weight 393.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
Also Known As: ChemDiv2_006578, IDI1_005293, UPCMLD0ENAT5843125:001, 2-[8-[(2,6-dimethyl-4-morpholinyl)methyl]-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester, ethyl 2-[8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
| Molecular Formula | C18H27N5O5 |
|---|---|
| Molecular Weight | 393.20 g/mol |
| LogP | -0.394 |
| Topological Polar Surface Area | 100.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.20123 |
| Heavy Atoms | 28 |
| Complexity | 994.43066 |
Chemical Identifiers
| CAS Number | 851940-54-0 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CC(OC(C3)C)C |
Product Overview
ChemDiv2_006578 (CAS 851940-54-0), with molecular formula C18H27N5O5 and molecular weight 393.20 g/mol. IUPAC: ethyl 2-[8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of ChemDiv2_006578
Property Insights of ChemDiv2_006578
The XLogP value of -0.394 indicates that ChemDiv2_006578 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006578. Following Lipinski's Rule of Five, ChemDiv2_006578 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 ChemDiv2_006578?
The CAS number of ChemDiv2_006578 is 851940-54-0.
What is the molecular formula of ChemDiv2_006578?
The molecular formula of ChemDiv2_006578 is C18H27N5O5.
What is the molecular weight of ChemDiv2_006578?
The molecular weight of ChemDiv2_006578 is 393.20 g/mol.
Where can I buy ChemDiv2_006578?
You can request a quote for ChemDiv2_006578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006578?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.