ChemDiv1_005279
TL;DR: ChemDiv1_005279 (CAS 361173-97-9) is a chemical compound with molecular formula C23H26N4O6S2 and molecular weight 518.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: ChemDiv1_005279, ethyl 4-((4-((6-ethoxybenzo[d]thiazol-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate, F0834-0021, ethyl 4-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate, ethyl 4-{4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzenesulfonyl}piperazine-1-carboxylate
| Molecular Formula | C23H26N4O6S2 |
|---|---|
| Molecular Weight | 518.13 g/mol |
| LogP | 3.4101 |
| Topological Polar Surface Area | 118.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.1294 |
| Heavy Atoms | 35 |
| Complexity | 1315.535 |
Chemical Identifiers
| CAS Number | 361173-97-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC |
Product Overview
ChemDiv1_005279 (CAS 361173-97-9), with molecular formula C23H26N4O6S2 and molecular weight 518.13 g/mol. IUPAC: ethyl 4-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of ChemDiv1_005279
Property Insights of ChemDiv1_005279
The XLogP value of 3.4101 indicates that ChemDiv1_005279 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005279. Following Lipinski's Rule of Five, ChemDiv1_005279 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005279?
The CAS number of ChemDiv1_005279 is 361173-97-9.
What is the molecular formula of ChemDiv1_005279?
The molecular formula of ChemDiv1_005279 is C23H26N4O6S2.
What is the molecular weight of ChemDiv1_005279?
The molecular weight of ChemDiv1_005279 is 518.13 g/mol.
Where can I buy ChemDiv1_005279?
You can request a quote for ChemDiv1_005279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005279?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.