ChemDiv1_004954
TL;DR: ChemDiv1_004954 (CAS 361174-39-2) is a chemical compound with molecular formula C26H24N4O7S2 and molecular weight 568.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: ChemDiv1_004954, F0834-0392, ethyl 4-(4-{[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate, ethyl 4-((4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate, ethyl 4-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
| Molecular Formula | C26H24N4O7S2 |
|---|---|
| Molecular Weight | 568.11 g/mol |
| LogP | 3.6316 |
| Topological Polar Surface Area | 139.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 568.10864 |
| Heavy Atoms | 39 |
| Complexity | 1689.2968 |
Chemical Identifiers
| CAS Number | 361174-39-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O |
Product Overview
ChemDiv1_004954 (CAS 361174-39-2), with molecular formula C26H24N4O7S2 and molecular weight 568.11 g/mol. IUPAC: ethyl 4-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of ChemDiv1_004954
Property Insights of ChemDiv1_004954
The XLogP value of 3.6316 indicates that ChemDiv1_004954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004954. Following Lipinski's Rule of Five, ChemDiv1_004954 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004954?
The CAS number of ChemDiv1_004954 is 361174-39-2.
What is the molecular formula of ChemDiv1_004954?
The molecular formula of ChemDiv1_004954 is C26H24N4O7S2.
What is the molecular weight of ChemDiv1_004954?
The molecular weight of ChemDiv1_004954 is 568.11 g/mol.
Where can I buy ChemDiv1_004954?
You can request a quote for ChemDiv1_004954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004954?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.