BAS 12711336
TL;DR: BAS 12711336 (CAS 825610-80-8) is a chemical compound with molecular formula C13H13N3O3S3 and molecular weight 355.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
Also Known As: BAS 12711336, AP-853/43261619, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide, BRD-K87396137-001-07-4
| Molecular Formula | C13H13N3O3S3 |
|---|---|
| Molecular Weight | 355.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.0119 |
| Heavy Atoms | 22 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 825610-80-8 |
|---|---|
| SMILES | CSC1=NSC(=N1)SCC(=O)NC2=CC3=C(C=C2)OCCO3 |
| InChIKey | ZMWVRCPXBGXCSJ-UHFFFAOYSA-N |
Product Overview
BAS 12711336 (CAS 825610-80-8), with molecular formula C13H13N3O3S3 and molecular weight 355.01 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 12711336
Property Insights of BAS 12711336
The XLogP value of 3.1 indicates that BAS 12711336 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting BAS 12711336 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 12711336 has 1 hydrogen bond donor(s) and 8 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 12711336?
The CAS number of BAS 12711336 is 825610-80-8.
What is the molecular formula of BAS 12711336?
The molecular formula of BAS 12711336 is C13H13N3O3S3.
What is the molecular weight of BAS 12711336?
The molecular weight of BAS 12711336 is 355.01 g/mol.
Where can I buy BAS 12711336?
You can request a quote for BAS 12711336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12711336?
Yes, KEHONG BIO provides custom synthesis services for BAS 12711336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.