ChemDiv1_014584
TL;DR: ChemDiv1_014584 (CAS 450336-47-7) is a chemical compound with molecular formula C18H12ClN5O7S and molecular weight 477.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-nitro-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: ChemDiv1_014584, F0541-0646, 4-chloro-3-nitro-N-(2-(4-nitrophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 4-chloro-3-nitro-N-[2-(4-nitrophenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]benzamide, 4-chloro-3-nitro-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C18H12ClN5O7S |
|---|---|
| Molecular Weight | 477.01 g/mol |
| LogP | 3.0228 |
| Topological Polar Surface Area | 167.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.0146 |
| Heavy Atoms | 32 |
| Complexity | 1399.8169 |
Chemical Identifiers
| CAS Number | 450336-47-7 |
|---|---|
| SMILES | C1C2=C(N(N=C2CS1(=O)=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
ChemDiv1_014584 (CAS 450336-47-7), with molecular formula C18H12ClN5O7S and molecular weight 477.01 g/mol. IUPAC: 4-chloro-3-nitro-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_014584
Property Insights of ChemDiv1_014584
The XLogP value of 3.0228 indicates that ChemDiv1_014584 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.34 Ų indicates high polarity, suggesting ChemDiv1_014584 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014584 has 1 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 ChemDiv1_014584?
The CAS number of ChemDiv1_014584 is 450336-47-7.
What is the molecular formula of ChemDiv1_014584?
The molecular formula of ChemDiv1_014584 is C18H12ClN5O7S.
What is the molecular weight of ChemDiv1_014584?
The molecular weight of ChemDiv1_014584 is 477.01 g/mol.
Where can I buy ChemDiv1_014584?
You can request a quote for ChemDiv1_014584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014584?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.