ChemDiv1_005000
TL;DR: ChemDiv1_005000 (CAS 361174-60-9) is a chemical compound with molecular formula C28H25N3O7S and molecular weight 547.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(9,10-dioxoanthracen-1-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: ChemDiv1_005000, ethyl 4-{4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)carbamoyl]benzenesulfonyl}piperazine-1-carboxylate, F0834-1197, ethyl 4-((4-((9,10-dioxo-9,10-dihydroanthracen-1-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate, ethyl 4-[4-[(9,10-dioxoanthracen-1-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
| Molecular Formula | C28H25N3O7S |
|---|---|
| Molecular Weight | 547.14 g/mol |
| LogP | 3.1771 |
| Topological Polar Surface Area | 130.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 547.1413 |
| Heavy Atoms | 39 |
| Complexity | 1591.583 |
Chemical Identifiers
| CAS Number | 361174-60-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O |
Product Overview
ChemDiv1_005000 (CAS 361174-60-9), with molecular formula C28H25N3O7S and molecular weight 547.14 g/mol. IUPAC: ethyl 4-[4-[(9,10-dioxoanthracen-1-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of ChemDiv1_005000
Property Insights of ChemDiv1_005000
The XLogP value of 3.1771 indicates that ChemDiv1_005000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005000. Following Lipinski's Rule of Five, ChemDiv1_005000 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_005000?
The CAS number of ChemDiv1_005000 is 361174-60-9.
What is the molecular formula of ChemDiv1_005000?
The molecular formula of ChemDiv1_005000 is C28H25N3O7S.
What is the molecular weight of ChemDiv1_005000?
The molecular weight of ChemDiv1_005000 is 547.14 g/mol.
Where can I buy ChemDiv1_005000?
You can request a quote for ChemDiv1_005000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005000?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.