BAS 02378953
TL;DR: BAS 02378953 (CAS 335403-85-5) is a chemical compound with molecular formula C20H28N6O4 and molecular weight 416.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(dimethylamino)ethylamino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: BAS 02378953, 8-((2-(dimethylamino)ethyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F0823-0163, 8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(2-dimethylaminoethylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione
| Molecular Formula | C20H28N6O4 |
|---|---|
| Molecular Weight | 416.22 g/mol |
| LogP | 0.14512 |
| Topological Polar Surface Area | 117.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.2172 |
| Heavy Atoms | 30 |
| Complexity | 1130.5076 |
Chemical Identifiers
| CAS Number | 335403-85-5 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(CN2C3=C(N=C2NCCN(C)C)N(C(=O)NC3=O)C)O |
Product Overview
BAS 02378953 (CAS 335403-85-5), with molecular formula C20H28N6O4 and molecular weight 416.22 g/mol. IUPAC: 8-[2-(dimethylamino)ethylamino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 02378953
Property Insights of BAS 02378953
The XLogP value of 0.14512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02378953. The TPSA of 117.41 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02378953. Following Lipinski's Rule of Five, BAS 02378953 has 3 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 BAS 02378953?
The CAS number of BAS 02378953 is 335403-85-5.
What is the molecular formula of BAS 02378953?
The molecular formula of BAS 02378953 is C20H28N6O4.
What is the molecular weight of BAS 02378953?
The molecular weight of BAS 02378953 is 416.22 g/mol.
Where can I buy BAS 02378953?
You can request a quote for BAS 02378953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02378953?
Yes, KEHONG BIO provides custom synthesis services for BAS 02378953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.