BAS 13118831
TL;DR: BAS 13118831 (CAS 381201-55-4) is a chemical compound with molecular formula C16H15ClN4O2S2 and molecular weight 394.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-7-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Also Known As: BAS 13118831, 3-tert-butyl-7-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, 3-(tert-butyl)-7-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, 3-(tert-butyl)-7-[2-(4-chlorophenyl)-2-oxoethylthio]-1,3,4-thiadiazolino[2,3-c ]1,2,4-triazin-4-one, 3-(TERT-BUTYL)-7-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-4H-[1,3,4]THIADIAZOLO[2,3-C][1,2,4]TRIAZIN-4-ONE
| Molecular Formula | C16H15ClN4O2S2 |
|---|---|
| Molecular Weight | 394.03 g/mol |
| LogP | 3.4719 |
| Topological Polar Surface Area | 77.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.0325 |
| Heavy Atoms | 25 |
| Complexity | 990.02277 |
Chemical Identifiers
| CAS Number | 381201-55-4 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SCC(=O)C3=CC=C(C=C3)Cl |
Product Overview
BAS 13118831 (CAS 381201-55-4), with molecular formula C16H15ClN4O2S2 and molecular weight 394.03 g/mol. IUPAC: 3-tert-butyl-7-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
Chemical Property Profile of BAS 13118831
Property Insights of BAS 13118831
The XLogP value of 3.4719 indicates that BAS 13118831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13118831. Following Lipinski's Rule of Five, BAS 13118831 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 13118831?
The CAS number of BAS 13118831 is 381201-55-4.
What is the molecular formula of BAS 13118831?
The molecular formula of BAS 13118831 is C16H15ClN4O2S2.
What is the molecular weight of BAS 13118831?
The molecular weight of BAS 13118831 is 394.03 g/mol.
Where can I buy BAS 13118831?
You can request a quote for BAS 13118831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13118831?
Yes, KEHONG BIO provides custom synthesis services for BAS 13118831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.