BAS 01122559
TL;DR: BAS 01122559 (CAS 332103-69-2) is a chemical compound with molecular formula C18H29N5O4 and molecular weight 379.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione
Also Known As: BAS 01122559, AB00137724-02, 8-(1-azepanyl)-7-(2-hydroxy-3-isopropoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, F0403-0040, 8-(azepan-1-yl)-7-(2-hydroxy-3-isopropoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H29N5O4 |
|---|---|
| Molecular Weight | 379.22 g/mol |
| LogP | 0.5896 |
| Topological Polar Surface Area | 105.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.22195 |
| Heavy Atoms | 27 |
| Complexity | 889.51465 |
Chemical Identifiers
| CAS Number | 332103-69-2 |
|---|---|
| SMILES | CC(C)OCC(CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C)O |
Product Overview
BAS 01122559 (CAS 332103-69-2), with molecular formula C18H29N5O4 and molecular weight 379.22 g/mol. IUPAC: 8-(azepan-1-yl)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 01122559
Property Insights of BAS 01122559
The XLogP value of 0.5896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122559. The TPSA of 105.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122559. Following Lipinski's Rule of Five, BAS 01122559 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 01122559?
The CAS number of BAS 01122559 is 332103-69-2.
What is the molecular formula of BAS 01122559?
The molecular formula of BAS 01122559 is C18H29N5O4.
What is the molecular weight of BAS 01122559?
The molecular weight of BAS 01122559 is 379.22 g/mol.
Where can I buy BAS 01122559?
You can request a quote for BAS 01122559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122559?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.