ChemDiv1_010508
TL;DR: ChemDiv1_010508 (CAS 404910-12-9) is a chemical compound with molecular formula C21H16N6OS2 and molecular weight 432.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_010508, N-(1,3-benzothiazol-2-yl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, 2-[(5-ALLYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL)SULFANYL]-N~1~-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, N-(1,3-benzothiazol-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H16N6OS2 |
|---|---|
| Molecular Weight | 432.08 g/mol |
| LogP | 4.506 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.0827 |
| Heavy Atoms | 30 |
| Complexity | 1373.9668 |
Chemical Identifiers
| CAS Number | 404910-12-9 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
ChemDiv1_010508 (CAS 404910-12-9), with molecular formula C21H16N6OS2 and molecular weight 432.08 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_010508
Property Insights of ChemDiv1_010508
The XLogP value of 4.506 indicates that ChemDiv1_010508 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010508. Following Lipinski's Rule of Five, ChemDiv1_010508 has 1 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 ChemDiv1_010508?
The CAS number of ChemDiv1_010508 is 404910-12-9.
What is the molecular formula of ChemDiv1_010508?
The molecular formula of ChemDiv1_010508 is C21H16N6OS2.
What is the molecular weight of ChemDiv1_010508?
The molecular weight of ChemDiv1_010508 is 432.08 g/mol.
Where can I buy ChemDiv1_010508?
You can request a quote for ChemDiv1_010508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010508?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.