BAS 08333528
TL;DR: BAS 08333528 (CAS 713090-94-9) is a chemical compound with molecular formula C12H13N7O2S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 08333528, AB00405229-04, 7-allyl-3-methyl-8-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1H-purine-2,6(3H,7H)-dione, 7-Allyl-3-methyl-8-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-3,7-dihydro-purine-2,6-dione, 3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-7-prop-2-enylpurine-2,6-dione
| Molecular Formula | C12H13N7O2S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.08514 |
| Heavy Atoms | 22 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 713090-94-9 |
|---|---|
| SMILES | CN1C=NN=C1SC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C |
| InChIKey | PIRJENZDPZKHDK-UHFFFAOYSA-N |
Product Overview
BAS 08333528 (CAS 713090-94-9), with molecular formula C12H13N7O2S and molecular weight 319.09 g/mol. IUPAC: 3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of BAS 08333528
Property Insights of BAS 08333528
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08333528. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08333528. Following Lipinski's Rule of Five, BAS 08333528 has 1 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 08333528?
The CAS number of BAS 08333528 is 713090-94-9.
What is the molecular formula of BAS 08333528?
The molecular formula of BAS 08333528 is C12H13N7O2S.
What is the molecular weight of BAS 08333528?
The molecular weight of BAS 08333528 is 319.09 g/mol.
Where can I buy BAS 08333528?
You can request a quote for BAS 08333528 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08333528?
Yes, KEHONG BIO provides custom synthesis services for BAS 08333528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.