BAS 00458076
TL;DR: BAS 00458076 (CAS 304871-33-8) is a chemical compound with molecular formula C25H29N5O6 and molecular weight 495.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00458076, 8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-((3,4-dimethoxyphenethyl)amino)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
| Molecular Formula | C25H29N5O6 |
|---|---|
| Molecular Weight | 495.21 g/mol |
| LogP | 1.535 |
| Topological Polar Surface Area | 132.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 495.2118 |
| Heavy Atoms | 36 |
| Complexity | 1443.34 |
Chemical Identifiers
| CAS Number | 304871-33-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC(=C(C=C3)OC)OC)CC(COC4=CC=CC=C4)O |
Product Overview
BAS 00458076 (CAS 304871-33-8), with molecular formula C25H29N5O6 and molecular weight 495.21 g/mol. IUPAC: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00458076
Property Insights of BAS 00458076
The XLogP value of 1.535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00458076. The TPSA of 132.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00458076. Following Lipinski's Rule of Five, BAS 00458076 has 3 hydrogen bond donor(s) and 8 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 00458076?
The CAS number of BAS 00458076 is 304871-33-8.
What is the molecular formula of BAS 00458076?
The molecular formula of BAS 00458076 is C25H29N5O6.
What is the molecular weight of BAS 00458076?
The molecular weight of BAS 00458076 is 495.21 g/mol.
Where can I buy BAS 00458076?
You can request a quote for BAS 00458076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458076?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.