BAS 12711334
TL;DR: BAS 12711334 (CAS 878417-85-7) 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-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
Also Known As: BAS 12711334, BRD-K95401833-001-01-2, N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide, N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-2-(3-methylthio(1,2,4-thiadiazol-5- ylthio))acetamide
| Molecular Formula | C13H13N3O3S3 |
|---|---|
| Molecular Weight | 355.01 g/mol |
| LogP | 2.3972 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.0119 |
| Heavy Atoms | 22 |
| Complexity | 677.5451 |
Chemical Identifiers
| CAS Number | 878417-85-7 |
|---|---|
| SMILES | CSC1=NSC(=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
BAS 12711334 (CAS 878417-85-7), with molecular formula C13H13N3O3S3 and molecular weight 355.01 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 12711334
Property Insights of BAS 12711334
The XLogP value of 2.3972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12711334. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12711334. Following Lipinski's Rule of Five, BAS 12711334 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 12711334?
The CAS number of BAS 12711334 is 878417-85-7.
What is the molecular formula of BAS 12711334?
The molecular formula of BAS 12711334 is C13H13N3O3S3.
What is the molecular weight of BAS 12711334?
The molecular weight of BAS 12711334 is 355.01 g/mol.
Where can I buy BAS 12711334?
You can request a quote for BAS 12711334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12711334?
Yes, KEHONG BIO provides custom synthesis services for BAS 12711334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.