BAS 07048481
TL;DR: BAS 07048481 (CAS 496776-13-7) is a chemical compound with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: BAS 07048481, methyl 2-((5-(benzo[d][1,3]dioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-{[5-(1,3-dioxaindan-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl [5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-ylthio]acetate
| Molecular Formula | C13H13N3O4S |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 1.4759 |
| Topological Polar Surface Area | 75.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.06268 |
| Heavy Atoms | 21 |
| Complexity | 686.051 |
Chemical Identifiers
| CAS Number | 496776-13-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)C2=CC3=C(C=C2)OCO3 |
Product Overview
BAS 07048481 (CAS 496776-13-7), with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol. IUPAC: methyl 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 07048481
Property Insights of BAS 07048481
The XLogP value of 1.4759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07048481. The TPSA of 75.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07048481. Following Lipinski's Rule of Five, BAS 07048481 has 0 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 07048481?
The CAS number of BAS 07048481 is 496776-13-7.
What is the molecular formula of BAS 07048481?
The molecular formula of BAS 07048481 is C13H13N3O4S.
What is the molecular weight of BAS 07048481?
The molecular weight of BAS 07048481 is 307.06 g/mol.
Where can I buy BAS 07048481?
You can request a quote for BAS 07048481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07048481?
Yes, KEHONG BIO provides custom synthesis services for BAS 07048481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.