BAS 08333526
TL;DR: BAS 08333526 (CAS 714256-61-8) is a chemical compound with molecular formula C12H12N6O2S2 and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 08333526, 7-allyl-3-methyl-8-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione, 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-prop-2-enylpurine-2,6-dione, 3-methyl-8-(5-methyl(1,3,4-thiadiazol-2-ylthio))-7-prop-2-enyl-1,3,7-trihydrop urine-2,6-dione, 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C12H12N6O2S2 |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.04633 |
| Heavy Atoms | 22 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 714256-61-8 |
|---|---|
| SMILES | CC1=NN=C(S1)SC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C |
| InChIKey | ZNAYTNYSRKSYMF-UHFFFAOYSA-N |
Product Overview
BAS 08333526 (CAS 714256-61-8), with molecular formula C12H12N6O2S2 and molecular weight 336.05 g/mol. IUPAC: 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of BAS 08333526
Property Insights of BAS 08333526
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08333526. The TPSA of 147.0 Ų indicates high polarity, suggesting BAS 08333526 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 08333526 has 1 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 08333526?
The CAS number of BAS 08333526 is 714256-61-8.
What is the molecular formula of BAS 08333526?
The molecular formula of BAS 08333526 is C12H12N6O2S2.
What is the molecular weight of BAS 08333526?
The molecular weight of BAS 08333526 is 336.05 g/mol.
Where can I buy BAS 08333526?
You can request a quote for BAS 08333526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08333526?
Yes, KEHONG BIO provides custom synthesis services for BAS 08333526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.