ChemDiv3_005087
TL;DR: ChemDiv3_005087 (CAS 487019-78-3) is a chemical compound with molecular formula C20H18N6OS2 and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one
Also Known As: ChemDiv3_005087, IDI1_022997, BRD-K83423192-001-01-5, 1-{4-amino-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one, 1-(4-amino-6-(p-tolylamino)-1,3,5-triazin-2-yl)-3-(benzo[d]thiazol-2-ylthio)propan-2-one
| Molecular Formula | C20H18N6OS2 |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 4.01942 |
| Topological Polar Surface Area | 106.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.09836 |
| Heavy Atoms | 29 |
| Complexity | 1126.3252 |
Chemical Identifiers
| CAS Number | 487019-78-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CC(=O)CSC3=NC4=CC=CC=C4S3 |
Product Overview
ChemDiv3_005087 (CAS 487019-78-3), with molecular formula C20H18N6OS2 and molecular weight 422.10 g/mol. IUPAC: 1-[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one.
Chemical Property Profile of ChemDiv3_005087
Property Insights of ChemDiv3_005087
The XLogP value of 4.01942 indicates that ChemDiv3_005087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005087. Following Lipinski's Rule of Five, ChemDiv3_005087 has 2 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 ChemDiv3_005087?
The CAS number of ChemDiv3_005087 is 487019-78-3.
What is the molecular formula of ChemDiv3_005087?
The molecular formula of ChemDiv3_005087 is C20H18N6OS2.
What is the molecular weight of ChemDiv3_005087?
The molecular weight of ChemDiv3_005087 is 422.10 g/mol.
Where can I buy ChemDiv3_005087?
You can request a quote for ChemDiv3_005087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005087?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.