BAS 01313719
TL;DR: BAS 01313719 (CAS 296772-69-5) is a chemical compound with molecular formula C20H18N6O3S2 and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: BAS 01313719, 2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide, A1458/0064288, 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide, 2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[4-(aminosulfonyl)phenyl]acetamide
| Molecular Formula | C20H18N6O3S2 |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 2.5437 |
| Topological Polar Surface Area | 132.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.0882 |
| Heavy Atoms | 31 |
| Complexity | 1397.9857 |
Chemical Identifiers
| CAS Number | 296772-69-5 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N |
Product Overview
BAS 01313719 (CAS 296772-69-5), with molecular formula C20H18N6O3S2 and molecular weight 454.09 g/mol. IUPAC: 2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of BAS 01313719
Property Insights of BAS 01313719
The XLogP value of 2.5437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01313719. The TPSA of 132.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01313719. Following Lipinski's Rule of Five, BAS 01313719 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 01313719?
The CAS number of BAS 01313719 is 296772-69-5.
What is the molecular formula of BAS 01313719?
The molecular formula of BAS 01313719 is C20H18N6O3S2.
What is the molecular weight of BAS 01313719?
The molecular weight of BAS 01313719 is 454.09 g/mol.
Where can I buy BAS 01313719?
You can request a quote for BAS 01313719 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01313719?
Yes, KEHONG BIO provides custom synthesis services for BAS 01313719 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.