UPCMLD0ENAT0513-0521:001
TL;DR: UPCMLD0ENAT0513-0521:001 (CAS 955975-54-9) is a chemical compound with molecular formula C22H18N6O2S2 and molecular weight 462.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
Also Known As: UPCMLD0ENAT0513-0521:001, N-(3-((3,5-dimethylphenyl)amino)quinoxalin-2-yl)benzo[c][1,2,5]thiadiazole-4-sulfonamide, N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
| Molecular Formula | C22H18N6O2S2 |
|---|---|
| Molecular Weight | 462.09 g/mol |
| LogP | 4.79574 |
| Topological Polar Surface Area | 109.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.09326 |
| Heavy Atoms | 32 |
| Complexity | 1560.2852 |
Chemical Identifiers
| CAS Number | 955975-54-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54)C |
Product Overview
UPCMLD0ENAT0513-0521:001 (CAS 955975-54-9), with molecular formula C22H18N6O2S2 and molecular weight 462.09 g/mol. IUPAC: N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide.
Chemical Property Profile of UPCMLD0ENAT0513-0521:001
Property Insights of UPCMLD0ENAT0513-0521:001
The XLogP value of 4.79574 indicates that UPCMLD0ENAT0513-0521:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.76 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0513-0521:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-0521:001 has 2 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT0513-0521:001?
The CAS number of UPCMLD0ENAT0513-0521:001 is 955975-54-9.
What is the molecular formula of UPCMLD0ENAT0513-0521:001?
The molecular formula of UPCMLD0ENAT0513-0521:001 is C22H18N6O2S2.
What is the molecular weight of UPCMLD0ENAT0513-0521:001?
The molecular weight of UPCMLD0ENAT0513-0521:001 is 462.09 g/mol.
Where can I buy UPCMLD0ENAT0513-0521:001?
You can request a quote for UPCMLD0ENAT0513-0521:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-0521:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-0521:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.