TimTec1_005363
TL;DR: TimTec1_005363 (CAS 312273-86-2) 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-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide
Also Known As: TimTec1_005363, A1720/0073323, 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide, 2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide, 2-({5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(4-SULFAMOYLPHENYL)BUTANAMIDE
| Molecular Formula | C20H20N6O3S2 |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 2.6733 |
| Topological Polar Surface Area | 132.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.10382 |
| Heavy Atoms | 31 |
| Complexity | 1383.5872 |
Chemical Identifiers
| CAS Number | 312273-86-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=C(C4=CC=CC=C4N3C)N=N2 |
Product Overview
TimTec1_005363 (CAS 312273-86-2), with molecular formula C20H20N6O3S2 and molecular weight 456.10 g/mol. IUPAC: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide.
Chemical Property Profile of TimTec1_005363
Property Insights of TimTec1_005363
The XLogP value of 2.6733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_005363. The TPSA of 132.86 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005363. Following Lipinski's Rule of Five, TimTec1_005363 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 TimTec1_005363?
The CAS number of TimTec1_005363 is 312273-86-2.
What is the molecular formula of TimTec1_005363?
The molecular formula of TimTec1_005363 is C20H20N6O3S2.
What is the molecular weight of TimTec1_005363?
The molecular weight of TimTec1_005363 is 456.10 g/mol.
Where can I buy TimTec1_005363?
You can request a quote for TimTec1_005363 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005363?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005363 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.