BAS 00458055
TL;DR: BAS 00458055 (CAS 300586-22-5) is a chemical compound with molecular formula C18H23N5O5 and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-3-phenoxypropyl)-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione
Also Known As: BAS 00458055, 7-(2-hydroxy-3-phenoxypropyl)-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, F0373-0642, 7-(2-hydroxy-3-phenoxypropyl)-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione, 7-(2-hydroxy-3-phenoxypropyl)-8-[(3-hydroxypropyl)amino]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H23N5O5 |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | -0.3425 |
| Topological Polar Surface Area | 134.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.16992 |
| Heavy Atoms | 28 |
| Complexity | 1040.1863 |
Chemical Identifiers
| CAS Number | 300586-22-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CC(COC3=CC=CC=C3)O |
Product Overview
BAS 00458055 (CAS 300586-22-5), with molecular formula C18H23N5O5 and molecular weight 389.17 g/mol. IUPAC: 7-(2-hydroxy-3-phenoxypropyl)-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00458055
Property Insights of BAS 00458055
The XLogP value of -0.3425 indicates that BAS 00458055 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00458055. Following Lipinski's Rule of Five, BAS 00458055 has 4 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 00458055?
The CAS number of BAS 00458055 is 300586-22-5.
What is the molecular formula of BAS 00458055?
The molecular formula of BAS 00458055 is C18H23N5O5.
What is the molecular weight of BAS 00458055?
The molecular weight of BAS 00458055 is 389.17 g/mol.
Where can I buy BAS 00458055?
You can request a quote for BAS 00458055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458055?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.