A3956/0168562
TL;DR: A3956/0168562 (CAS 889965-56-4) is a chemical compound with molecular formula C25H25FN4O6S and molecular weight 528.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(4-fluoronaphthalen-1-yl)sulfonylpiperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone
Also Known As: A3956/0168562, [4-[4-(4-fluoronaphthalen-1-yl)sulfonylpiperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone, 4-(4-{4-[(4-fluoro-1-naphthyl)sulfonyl]piperazin-1-yl}-3-nitrobenzoyl)morpholine, (4-{4-[(4-FLUORO-1-NAPHTHYL)SULFONYL]PIPERAZINO}-3-NITROPHENYL)(MORPHOLINO)METHANONE, (4-{4-[(4-fluoronaphthalen-1-yl)sulfonyl]piperazin-1-yl}-3-nitrophenyl)(morpholin-4-yl)methanone
| Molecular Formula | C25H25FN4O6S |
|---|---|
| Molecular Weight | 528.15 g/mol |
| LogP | 2.8704 |
| Topological Polar Surface Area | 113.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.1479 |
| Heavy Atoms | 37 |
| Complexity | 1467.2833 |
Chemical Identifiers
| CAS Number | 889965-56-4 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C5=CC=CC=C54)F |
Product Overview
A3956/0168562 (CAS 889965-56-4), with molecular formula C25H25FN4O6S and molecular weight 528.15 g/mol. IUPAC: [4-[4-(4-fluoronaphthalen-1-yl)sulfonylpiperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone.
Chemical Property Profile of A3956/0168562
Property Insights of A3956/0168562
The XLogP value of 2.8704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3956/0168562. The TPSA of 113.3 Ų falls within the moderate polarity range, balancing permeability and solubility for A3956/0168562. Following Lipinski's Rule of Five, A3956/0168562 has 0 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 A3956/0168562?
The CAS number of A3956/0168562 is 889965-56-4.
What is the molecular formula of A3956/0168562?
The molecular formula of A3956/0168562 is C25H25FN4O6S.
What is the molecular weight of A3956/0168562?
The molecular weight of A3956/0168562 is 528.15 g/mol.
Where can I buy A3956/0168562?
You can request a quote for A3956/0168562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3956/0168562?
Yes, KEHONG BIO provides custom synthesis services for A3956/0168562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.