ChemDiv1_014220
TL;DR: ChemDiv1_014220 (CAS 389073-01-2) is a chemical compound with molecular formula C19H11F2N7O4S3 and molecular weight 535.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-difluoro-N-[5-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: ChemDiv1_014220, 2,6-difluoro-N-{5-[({[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide, F0509-2806, 2,6-difluoro-N-(5-((2-((5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 2,6-difluoro-N-[5-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C19H11F2N7O4S3 |
|---|---|
| Molecular Weight | 535.00 g/mol |
| LogP | 4.2261 |
| Topological Polar Surface Area | 152.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.00024 |
| Heavy Atoms | 35 |
| Complexity | 1408.7094 |
Chemical Identifiers
| CAS Number | 389073-01-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(S2)NC(=O)CSC3=NN=C(S3)NC(=O)C4=C(C=CC=C4F)F |
Product Overview
ChemDiv1_014220 (CAS 389073-01-2), with molecular formula C19H11F2N7O4S3 and molecular weight 535.00 g/mol. IUPAC: 2,6-difluoro-N-[5-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of ChemDiv1_014220
Property Insights of ChemDiv1_014220
The XLogP value of 4.2261 indicates that ChemDiv1_014220 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.9 Ų indicates high polarity, suggesting ChemDiv1_014220 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014220 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014220?
The CAS number of ChemDiv1_014220 is 389073-01-2.
What is the molecular formula of ChemDiv1_014220?
The molecular formula of ChemDiv1_014220 is C19H11F2N7O4S3.
What is the molecular weight of ChemDiv1_014220?
The molecular weight of ChemDiv1_014220 is 535.00 g/mol.
Where can I buy ChemDiv1_014220?
You can request a quote for ChemDiv1_014220 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014220?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014220 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.