BAS 02729543
TL;DR: BAS 02729543 (CAS 296898-08-3) is a chemical compound with molecular formula C20H20N6O3S2 and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: BAS 02729543, 2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-({5-PROPYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(4-SULFAMOYLPHENYL)ACETAMIDE, 2-({5-PROPYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(4-SULFAMOYLPHENYL)ACETAMIDE, 2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C20H20N6O3S2 |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 2.7677 |
| Topological Polar Surface Area | 132.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.10382 |
| Heavy Atoms | 31 |
| Complexity | 1367.2155 |
Chemical Identifiers
| CAS Number | 296898-08-3 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N |
Product Overview
BAS 02729543 (CAS 296898-08-3), with molecular formula C20H20N6O3S2 and molecular weight 456.10 g/mol. IUPAC: 2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of BAS 02729543
Property Insights of BAS 02729543
The XLogP value of 2.7677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02729543. The TPSA of 132.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02729543. Following Lipinski's Rule of Five, BAS 02729543 has 2 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 02729543?
The CAS number of BAS 02729543 is 296898-08-3.
What is the molecular formula of BAS 02729543?
The molecular formula of BAS 02729543 is C20H20N6O3S2.
What is the molecular weight of BAS 02729543?
The molecular weight of BAS 02729543 is 456.10 g/mol.
Where can I buy BAS 02729543?
You can request a quote for BAS 02729543 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02729543?
Yes, KEHONG BIO provides custom synthesis services for BAS 02729543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.