ChemDiv1_010239
TL;DR: ChemDiv1_010239 (CAS 421583-63-3) is a chemical compound with molecular formula C21H22N6O3S2 and molecular weight 470.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoylamino]-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv1_010239, ethyl 4-methyl-2-({2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoyl}amino)-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-(2-((5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)butanamido)thiazole-5-carboxylate, ETHYL 4-METHYL-2-[2-({5-METHYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)BUTANAMIDO]-1,3-THIAZOLE-5-CARBOXYLATE, ETHYL 4-METHYL-2-[2-({5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)BUTANAMIDO]-1,3-THIAZOLE-5-CARBOXYLATE
| Molecular Formula | C21H22N6O3S2 |
|---|---|
| Molecular Weight | 470.12 g/mol |
| LogP | 3.96752 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.11948 |
| Heavy Atoms | 32 |
| Complexity | 1315.8531 |
Chemical Identifiers
| CAS Number | 421583-63-3 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=C(C4=CC=CC=C4N3C)N=N2 |
Product Overview
ChemDiv1_010239 (CAS 421583-63-3), with molecular formula C21H22N6O3S2 and molecular weight 470.12 g/mol. IUPAC: ethyl 4-methyl-2-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoylamino]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ChemDiv1_010239
Property Insights of ChemDiv1_010239
The XLogP value of 3.96752 indicates that ChemDiv1_010239 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010239. Following Lipinski's Rule of Five, ChemDiv1_010239 has 1 hydrogen bond donor(s) and 9 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 ChemDiv1_010239?
The CAS number of ChemDiv1_010239 is 421583-63-3.
What is the molecular formula of ChemDiv1_010239?
The molecular formula of ChemDiv1_010239 is C21H22N6O3S2.
What is the molecular weight of ChemDiv1_010239?
The molecular weight of ChemDiv1_010239 is 470.12 g/mol.
Where can I buy ChemDiv1_010239?
You can request a quote for ChemDiv1_010239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010239?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.