BAS 01122495
TL;DR: BAS 01122495 (CAS 392249-22-8) is a chemical compound with molecular formula C16H18N4O4S and molecular weight 362.10 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-sulfanylidene-9H-purine-2,6-dione
Also Known As: BAS 01122495, AB00667712-01, 7-(2-hydroxy-3-(o-tolyloxy)propyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione, F0374-0025, 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
| Molecular Formula | C16H18N4O4S |
|---|---|
| Molecular Weight | 362.10 g/mol |
| LogP | 0.83421 |
| Topological Polar Surface Area | 105.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.1049 |
| Heavy Atoms | 25 |
| Complexity | 1091.9333 |
Chemical Identifiers
| CAS Number | 392249-22-8 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(CN2C3=C(NC2=S)N(C(=O)NC3=O)C)O |
Product Overview
BAS 01122495 (CAS 392249-22-8), with molecular formula C16H18N4O4S and molecular weight 362.10 g/mol. IUPAC: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of BAS 01122495
Property Insights of BAS 01122495
The XLogP value of 0.83421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122495. The TPSA of 105.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122495. Following Lipinski's Rule of Five, BAS 01122495 has 3 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 01122495?
The CAS number of BAS 01122495 is 392249-22-8.
What is the molecular formula of BAS 01122495?
The molecular formula of BAS 01122495 is C16H18N4O4S.
What is the molecular weight of BAS 01122495?
The molecular weight of BAS 01122495 is 362.10 g/mol.
Where can I buy BAS 01122495?
You can request a quote for BAS 01122495 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122495?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122495 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.