BAS 10852158
TL;DR: BAS 10852158 (CAS 876881-03-7) is a chemical compound with molecular formula C18H13N7OS2 and molecular weight 407.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,1,3-benzothiadiazol-4-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: BAS 10852158, N-(2,1,3-benzothiadiazol-4-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(2,1,3-benzothiadiazol-4-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(benzo[c][1,2,5]thiadiazol-4-yl)-2-((5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetamide
| Molecular Formula | C18H13N7OS2 |
|---|---|
| Molecular Weight | 407.06 g/mol |
| LogP | 3.252 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.0623 |
| Heavy Atoms | 28 |
| Complexity | 1344.0537 |
Chemical Identifiers
| CAS Number | 876881-03-7 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=CC5=NSN=C54 |
Product Overview
BAS 10852158 (CAS 876881-03-7), with molecular formula C18H13N7OS2 and molecular weight 407.06 g/mol. IUPAC: N-(2,1,3-benzothiadiazol-4-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 10852158
Property Insights of BAS 10852158
The XLogP value of 3.252 indicates that BAS 10852158 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10852158. Following Lipinski's Rule of Five, BAS 10852158 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 10852158?
The CAS number of BAS 10852158 is 876881-03-7.
What is the molecular formula of BAS 10852158?
The molecular formula of BAS 10852158 is C18H13N7OS2.
What is the molecular weight of BAS 10852158?
The molecular weight of BAS 10852158 is 407.06 g/mol.
Where can I buy BAS 10852158?
You can request a quote for BAS 10852158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10852158?
Yes, KEHONG BIO provides custom synthesis services for BAS 10852158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.