ChemDiv1_014088
TL;DR: ChemDiv1_014088 (CAS 389072-92-8) is a chemical compound with molecular formula C19H16ClN5O5S2 and molecular weight 493.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide
Also Known As: ChemDiv1_014088, 2-chloro-N-[5-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide, F0509-2632, 2-chloro-N-(5-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-5-nitrobenzamide, 2-chloro-N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide
| Molecular Formula | C19H16ClN5O5S2 |
|---|---|
| Molecular Weight | 493.03 g/mol |
| LogP | 4.4815 |
| Topological Polar Surface Area | 136.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.02814 |
| Heavy Atoms | 32 |
| Complexity | 1139.392 |
Chemical Identifiers
| CAS Number | 389072-92-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
ChemDiv1_014088 (CAS 389072-92-8), with molecular formula C19H16ClN5O5S2 and molecular weight 493.03 g/mol. IUPAC: 2-chloro-N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide.
Chemical Property Profile of ChemDiv1_014088
Property Insights of ChemDiv1_014088
The XLogP value of 4.4815 indicates that ChemDiv1_014088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014088. Following Lipinski's Rule of Five, ChemDiv1_014088 has 2 hydrogen bond donor(s) and 9 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_014088?
The CAS number of ChemDiv1_014088 is 389072-92-8.
What is the molecular formula of ChemDiv1_014088?
The molecular formula of ChemDiv1_014088 is C19H16ClN5O5S2.
What is the molecular weight of ChemDiv1_014088?
The molecular weight of ChemDiv1_014088 is 493.03 g/mol.
Where can I buy ChemDiv1_014088?
You can request a quote for ChemDiv1_014088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014088?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.