BAS 07019908
TL;DR: BAS 07019908 (CAS 709000-16-8) is a chemical compound with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 07019908, AN-465/41587614, 4-[(1,3-benzodioxol-5-ylmethyl)amino]-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide, 4-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1H-1,2,4-triazole-5-thione, 4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-5-methyl-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C11H12N4O2S |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 1.72151 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.06808 |
| Heavy Atoms | 18 |
| Complexity | 634.21375 |
Chemical Identifiers
| CAS Number | 709000-16-8 |
|---|---|
| SMILES | CC1=NNC(=S)N1NCC2=CC3=C(C=C2)OCO3 |
Product Overview
BAS 07019908 (CAS 709000-16-8), with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of BAS 07019908
Property Insights of BAS 07019908
The XLogP value of 1.72151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07019908. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07019908. Following Lipinski's Rule of Five, BAS 07019908 has 2 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 07019908?
The CAS number of BAS 07019908 is 709000-16-8.
What is the molecular formula of BAS 07019908?
The molecular formula of BAS 07019908 is C11H12N4O2S.
What is the molecular weight of BAS 07019908?
The molecular weight of BAS 07019908 is 264.07 g/mol.
Where can I buy BAS 07019908?
You can request a quote for BAS 07019908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07019908?
Yes, KEHONG BIO provides custom synthesis services for BAS 07019908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.