BAS 01122533
TL;DR: BAS 01122533 (CAS 332103-56-7) is a chemical compound with molecular formula C20H24Cl2N6O4 and molecular weight 482.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 01122533, 7-(3-(2,4-dichlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0403-0014, 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(4-methyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H24Cl2N6O4 |
|---|---|
| Molecular Weight | 482.12 g/mol |
| LogP | 0.9218 |
| Topological Polar Surface Area | 108.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.1236 |
| Heavy Atoms | 32 |
| Complexity | 1245.3414 |
Chemical Identifiers
| CAS Number | 332103-56-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC(COC4=C(C=C(C=C4)Cl)Cl)O)C(=O)NC(=O)N3C |
Product Overview
BAS 01122533 (CAS 332103-56-7), with molecular formula C20H24Cl2N6O4 and molecular weight 482.12 g/mol. IUPAC: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of BAS 01122533
Property Insights of BAS 01122533
The XLogP value of 0.9218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122533. The TPSA of 108.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122533. Following Lipinski's Rule of Five, BAS 01122533 has 2 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 01122533?
The CAS number of BAS 01122533 is 332103-56-7.
What is the molecular formula of BAS 01122533?
The molecular formula of BAS 01122533 is C20H24Cl2N6O4.
What is the molecular weight of BAS 01122533?
The molecular weight of BAS 01122533 is 482.12 g/mol.
Where can I buy BAS 01122533?
You can request a quote for BAS 01122533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122533?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.