ChemDiv1_005086
TL;DR: ChemDiv1_005086 (CAS 361174-52-9) is a chemical compound with molecular formula C27H26N4O5S2 and molecular weight 550.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: ChemDiv1_005086, ETHYL 4-(4-{[2-(1,3-BENZOTHIAZOL-2-YL)PHENYL]CARBAMOYL}BENZENESULFONYL)PIPERAZINE-1-CARBOXYLATE, F0834-0672, ethyl 4-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate, ethyl 4-((4-((2-(benzo[d]thiazol-2-yl)phenyl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate
| Molecular Formula | C27H26N4O5S2 |
|---|---|
| Molecular Weight | 550.13 g/mol |
| LogP | 4.6784 |
| Topological Polar Surface Area | 108.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 550.13446 |
| Heavy Atoms | 38 |
| Complexity | 1543.5781 |
Chemical Identifiers
| CAS Number | 361174-52-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4 |
Product Overview
ChemDiv1_005086 (CAS 361174-52-9), with molecular formula C27H26N4O5S2 and molecular weight 550.13 g/mol. IUPAC: ethyl 4-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of ChemDiv1_005086
Property Insights of ChemDiv1_005086
The XLogP value of 4.6784 indicates that ChemDiv1_005086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005086. Following Lipinski's Rule of Five, ChemDiv1_005086 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005086?
The CAS number of ChemDiv1_005086 is 361174-52-9.
What is the molecular formula of ChemDiv1_005086?
The molecular formula of ChemDiv1_005086 is C27H26N4O5S2.
What is the molecular weight of ChemDiv1_005086?
The molecular weight of ChemDiv1_005086 is 550.13 g/mol.
Where can I buy ChemDiv1_005086?
You can request a quote for ChemDiv1_005086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005086?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.