NDJ85
TL;DR: NDJ85 (CAS 835899-33-7) 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.
2-methyl-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methylcarbamothioyl]benzamide
Also Known As: NDJ85, AP-970/43202520, 2-methyl-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methylcarbamothioyl]benzamide, 2-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl]carbamothioyl}benzamide, N-(2-methylbenzoyl)-N'-[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl]thiourea
| Molecular Formula | C20H18N6OS2 |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 3.27414 |
| Topological Polar Surface Area | 84.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.09836 |
| Heavy Atoms | 29 |
| Complexity | 1195.3909 |
Chemical Identifiers
| CAS Number | 835899-33-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NN4C(=NN=C4S3)C |
Product Overview
NDJ85 (CAS 835899-33-7), with molecular formula C20H18N6OS2 and molecular weight 422.10 g/mol. IUPAC: 2-methyl-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methylcarbamothioyl]benzamide.
Chemical Property Profile of NDJ85
Property Insights of NDJ85
The XLogP value of 3.27414 indicates that NDJ85 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.21 Ų falls within the moderate polarity range, balancing permeability and solubility for NDJ85. Following Lipinski's Rule of Five, NDJ85 has 2 hydrogen bond donor(s) and 6 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 NDJ85?
The CAS number of NDJ85 is 835899-33-7.
What is the molecular formula of NDJ85?
The molecular formula of NDJ85 is C20H18N6OS2.
What is the molecular weight of NDJ85?
The molecular weight of NDJ85 is 422.10 g/mol.
Where can I buy NDJ85?
You can request a quote for NDJ85 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NDJ85?
Yes, KEHONG BIO provides custom synthesis services for NDJ85 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.