ChemDiv2_000555
TL;DR: ChemDiv2_000555 (CAS 333752-31-1) is a chemical compound with molecular formula C13H18N4O4 and molecular weight 294.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-7-(propan-2-yloxymethyl)-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
Also Known As: ChemDiv2_000555, BAS 02999114, 7-(isopropoxymethyl)-1,3-dimethyl-6,7-dihydrooxazolo[2,3-f]purine-2,4(1H,3H)-dione, 2,4-dimethyl-7-(propan-2-yloxymethyl)-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione, 7-Isopropoxymethyl-1,3-dimethyl-6,7-dihydro-1H-oxazolo[2,3-f]purine-2,4-dione
| Molecular Formula | C13H18N4O4 |
|---|---|
| Molecular Weight | 294.13 g/mol |
| LogP | -0.3803 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.1328 |
| Heavy Atoms | 21 |
| Complexity | 814.1563 |
Chemical Identifiers
| CAS Number | 333752-31-1 |
|---|---|
| SMILES | CC(C)OCC1CN2C3=C(N=C2O1)N(C(=O)N(C3=O)C)C |
Product Overview
ChemDiv2_000555 (CAS 333752-31-1), with molecular formula C13H18N4O4 and molecular weight 294.13 g/mol. IUPAC: 2,4-dimethyl-7-(propan-2-yloxymethyl)-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione.
Chemical Property Profile of ChemDiv2_000555
Property Insights of ChemDiv2_000555
The XLogP value of -0.3803 indicates that ChemDiv2_000555 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_000555. Following Lipinski's Rule of Five, ChemDiv2_000555 has 0 hydrogen bond donor(s) and 5 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_000555?
The CAS number of ChemDiv2_000555 is 333752-31-1.
What is the molecular formula of ChemDiv2_000555?
The molecular formula of ChemDiv2_000555 is C13H18N4O4.
What is the molecular weight of ChemDiv2_000555?
The molecular weight of ChemDiv2_000555 is 294.13 g/mol.
Where can I buy ChemDiv2_000555?
You can request a quote for ChemDiv2_000555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_000555?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_000555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.