UPCMLD0ENAT0502-3695:001
TL;DR: UPCMLD0ENAT0502-3695:001 (CAS 1113053-85-2) is a chemical compound with molecular formula C20H13N7O4S2 and molecular weight 479.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide
Also Known As: UPCMLD0ENAT0502-3695:001, N-(3-(benzo[c][1,2,5]thiadiazol-5-ylamino)quinoxalin-2-yl)-3-nitrobenzenesulfonamide, N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide
| Molecular Formula | C20H13N7O4S2 |
|---|---|
| Molecular Weight | 479.05 g/mol |
| LogP | 4.0871 |
| Topological Polar Surface Area | 152.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.04706 |
| Heavy Atoms | 33 |
| Complexity | 1636.4425 |
Chemical Identifiers
| CAS Number | 1113053-85-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=CC5=NSN=C5C=C4 |
Product Overview
UPCMLD0ENAT0502-3695:001 (CAS 1113053-85-2), with molecular formula C20H13N7O4S2 and molecular weight 479.05 g/mol. IUPAC: N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide.
Chemical Property Profile of UPCMLD0ENAT0502-3695:001
Property Insights of UPCMLD0ENAT0502-3695:001
The XLogP value of 4.0871 indicates that UPCMLD0ENAT0502-3695:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.9 Ų indicates high polarity, suggesting UPCMLD0ENAT0502-3695:001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UPCMLD0ENAT0502-3695:001 has 2 hydrogen bond donor(s) and 10 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 UPCMLD0ENAT0502-3695:001?
The CAS number of UPCMLD0ENAT0502-3695:001 is 1113053-85-2.
What is the molecular formula of UPCMLD0ENAT0502-3695:001?
The molecular formula of UPCMLD0ENAT0502-3695:001 is C20H13N7O4S2.
What is the molecular weight of UPCMLD0ENAT0502-3695:001?
The molecular weight of UPCMLD0ENAT0502-3695:001 is 479.05 g/mol.
Where can I buy UPCMLD0ENAT0502-3695:001?
You can request a quote for UPCMLD0ENAT0502-3695:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0502-3695:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0502-3695:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.