BAS 01122535
TL;DR: BAS 01122535 (CAS 302590-34-7) is a chemical compound with molecular formula C14H22N6O2 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(4-methylpiperazin-1-yl)-7-propan-2-ylpurine-2,6-dione
Also Known As: BAS 01122535, AB01286588-01, 3-methyl-8-(4-methylpiperazin-1-yl)-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-8-(4-methylpiperazin-1-yl)-7-propan-2-ylpurine-2,6-dione, 7-isopropyl-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C14H22N6O2 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.18042 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 302590-34-7 |
|---|---|
| SMILES | CC(C)N1C2=C(N=C1N3CCN(CC3)C)N(C(=O)NC2=O)C |
| InChIKey | QGMPXNNARFYZGU-UHFFFAOYSA-N |
Product Overview
BAS 01122535 (CAS 302590-34-7), with molecular formula C14H22N6O2 and molecular weight 306.18 g/mol. IUPAC: 3-methyl-8-(4-methylpiperazin-1-yl)-7-propan-2-ylpurine-2,6-dione.
Chemical Property Profile of BAS 01122535
Property Insights of BAS 01122535
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122535. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122535. Following Lipinski's Rule of Five, BAS 01122535 has 1 hydrogen bond donor(s) and 5 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 01122535?
The CAS number of BAS 01122535 is 302590-34-7.
What is the molecular formula of BAS 01122535?
The molecular formula of BAS 01122535 is C14H22N6O2.
What is the molecular weight of BAS 01122535?
The molecular weight of BAS 01122535 is 306.18 g/mol.
Where can I buy BAS 01122535?
You can request a quote for BAS 01122535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122535?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.