BAS 00458019
TL;DR: BAS 00458019 (CAS 331675-17-3) is a chemical compound with molecular formula C17H20ClN5O5 and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione
Also Known As: BAS 00458019, F0373-0606, 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-8-((2-hydroxyethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(2-hydroxyethyl)amino]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione
| Molecular Formula | C17H20ClN5O5 |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | -0.0792 |
| Topological Polar Surface Area | 134.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.1153 |
| Heavy Atoms | 28 |
| Complexity | 1072.4622 |
Chemical Identifiers
| CAS Number | 331675-17-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCO)CC(COC3=CC=C(C=C3)Cl)O |
Product Overview
BAS 00458019 (CAS 331675-17-3), with molecular formula C17H20ClN5O5 and molecular weight 409.12 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00458019
Property Insights of BAS 00458019
The XLogP value of -0.0792 indicates that BAS 00458019 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 00458019. Following Lipinski's Rule of Five, BAS 00458019 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 00458019?
The CAS number of BAS 00458019 is 331675-17-3.
What is the molecular formula of BAS 00458019?
The molecular formula of BAS 00458019 is C17H20ClN5O5.
What is the molecular weight of BAS 00458019?
The molecular weight of BAS 00458019 is 409.12 g/mol.
Where can I buy BAS 00458019?
You can request a quote for BAS 00458019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458019?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.