BAS 00458056
TL;DR: BAS 00458056 (CAS 304881-27-4) is a chemical compound with molecular formula C15H16ClN5O4 and molecular weight 365.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-amino-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00458056, 8-amino-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00684222-01, AB00684222-02, 8-amino-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
| Molecular Formula | C15H16ClN5O4 |
|---|---|
| Molecular Weight | 365.09 g/mol |
| LogP | 0.0988 |
| Topological Polar Surface Area | 128.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.08908 |
| Heavy Atoms | 25 |
| Complexity | 1021.3082 |
Chemical Identifiers
| CAS Number | 304881-27-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CC(COC3=CC=C(C=C3)Cl)O |
Product Overview
BAS 00458056 (CAS 304881-27-4), with molecular formula C15H16ClN5O4 and molecular weight 365.09 g/mol. IUPAC: 8-amino-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00458056
Property Insights of BAS 00458056
The XLogP value of 0.0988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00458056. The TPSA of 128.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00458056. Following Lipinski's Rule of Five, BAS 00458056 has 3 hydrogen bond donor(s) and 6 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 00458056?
The CAS number of BAS 00458056 is 304881-27-4.
What is the molecular formula of BAS 00458056?
The molecular formula of BAS 00458056 is C15H16ClN5O4.
What is the molecular weight of BAS 00458056?
The molecular weight of BAS 00458056 is 365.09 g/mol.
Where can I buy BAS 00458056?
You can request a quote for BAS 00458056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458056?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.