BAS 01122508
TL;DR: BAS 01122508 (CAS 332897-94-6) is a chemical compound with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: BAS 01122508, AB00131498-07, F0374-0031, 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione, 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione
| Molecular Formula | C21H27N5O4 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 1.16192 |
| Topological Polar Surface Area | 105.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.2063 |
| Heavy Atoms | 30 |
| Complexity | 1156.3936 |
Chemical Identifiers
| CAS Number | 332897-94-6 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C)O |
Product Overview
BAS 01122508 (CAS 332897-94-6), with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol. IUPAC: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 01122508
Property Insights of BAS 01122508
The XLogP value of 1.16192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122508. The TPSA of 105.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122508. Following Lipinski's Rule of Five, BAS 01122508 has 2 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 01122508?
The CAS number of BAS 01122508 is 332897-94-6.
What is the molecular formula of BAS 01122508?
The molecular formula of BAS 01122508 is C21H27N5O4.
What is the molecular weight of BAS 01122508?
The molecular weight of BAS 01122508 is 413.21 g/mol.
Where can I buy BAS 01122508?
You can request a quote for BAS 01122508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122508?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.