ChemDiv1_005130
TL;DR: ChemDiv1_005130 (CAS 361174-53-0) is a chemical compound with molecular formula C27H26N4O6S and molecular weight 534.1573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: F0834-0679, ethyl 4-(4-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate, ethyl 4-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate, ethyl 4-((4-((3-(benzo[d]oxazol-2-yl)phenyl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate
Technical Specifications
| Molecular Formula | C27H26N4O6S |
| Molecular Weight | 534.1573 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.1573 Da |
| Heavy Atoms | 38 |
| Complexity | 926.0 |
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5O4 |
| InChIKey | DPLZXZJJAIBIAH-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv1_005130
Property Insights of ChemDiv1_005130
The XLogP value of 3.5 indicates that ChemDiv1_005130 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005130. Following Lipinski's Rule of Five, ChemDiv1_005130 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ChemDiv1_005130?
The CAS number of ChemDiv1_005130 is 361174-53-0.
What is the molecular formula of ChemDiv1_005130?
The molecular formula of ChemDiv1_005130 is C27H26N4O6S.
What is the molecular weight of ChemDiv1_005130?
The molecular weight of ChemDiv1_005130 is 534.1573 g/mol.
Where can I buy ChemDiv1_005130?
You can request a quote for ChemDiv1_005130 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv1_005130?
Yes, CoreyChem provides custom synthesis services for ChemDiv1_005130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.