J3.312.126A
TL;DR: J3.312.126A (CAS 794552-65-1) is a chemical compound with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]-2,4,5-trimethylbenzenesulfonamide
Also Known As: J3.312.126A, AQ-390/42708910, US10208043, # 12, F1566-0400, N-[4-hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)naphthalen-1-yl]-2,4,5-trimethylbenzene-1-sulfonamide
| Molecular Formula | C21H20N4O3S2 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 4.54076 |
| Topological Polar Surface Area | 107.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.0977 |
| Heavy Atoms | 30 |
| Complexity | 1350.6918 |
Chemical Identifiers
| CAS Number | 794552-65-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=NC=NN4)C |
Product Overview
J3.312.126A (CAS 794552-65-1), with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol. IUPAC: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]-2,4,5-trimethylbenzenesulfonamide.
Chemical Property Profile of J3.312.126A
Property Insights of J3.312.126A
The XLogP value of 4.54076 indicates that J3.312.126A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.97 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.312.126A. Following Lipinski's Rule of Five, J3.312.126A has 3 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 J3.312.126A?
The CAS number of J3.312.126A is 794552-65-1.
What is the molecular formula of J3.312.126A?
The molecular formula of J3.312.126A is C21H20N4O3S2.
What is the molecular weight of J3.312.126A?
The molecular weight of J3.312.126A is 440.10 g/mol.
Where can I buy J3.312.126A?
You can request a quote for J3.312.126A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.312.126A?
Yes, KEHONG BIO provides custom synthesis services for J3.312.126A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.