A4078/0173808
TL;DR: A4078/0173808 (CAS 893767-95-8) is a chemical compound with molecular formula C23H27FN4O8S and molecular weight 538.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone
Also Known As: A4078/0173808, [4-[4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone, 4-(4-{4-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]piperazin-1-yl}-3-nitrobenzoyl)morpholine, (4-{4-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]piperazin-1-yl}-3-nitrophenyl)(morpholin-4-yl)methanone, 4-{4-[4-(2-FLUORO-4,5-DIMETHOXYBENZENESULFONYL)PIPERAZIN-1-YL]-3-NITROBENZOYL}MORPHOLINE
| Molecular Formula | C23H27FN4O8S |
|---|---|
| Molecular Weight | 538.15 g/mol |
| LogP | 1.7344 |
| Topological Polar Surface Area | 131.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.1534 |
| Heavy Atoms | 37 |
| Complexity | 1291.8916 |
Chemical Identifiers
| CAS Number | 893767-95-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1OC)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCOCC4)[N+](=O)[O-])F |
Product Overview
A4078/0173808 (CAS 893767-95-8), with molecular formula C23H27FN4O8S and molecular weight 538.15 g/mol. IUPAC: [4-[4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone.
Chemical Property Profile of A4078/0173808
Property Insights of A4078/0173808
The XLogP value of 1.7344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4078/0173808. The TPSA of 131.76 Ų falls within the moderate polarity range, balancing permeability and solubility for A4078/0173808. Following Lipinski's Rule of Five, A4078/0173808 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4078/0173808?
The CAS number of A4078/0173808 is 893767-95-8.
What is the molecular formula of A4078/0173808?
The molecular formula of A4078/0173808 is C23H27FN4O8S.
What is the molecular weight of A4078/0173808?
The molecular weight of A4078/0173808 is 538.15 g/mol.
Where can I buy A4078/0173808?
You can request a quote for A4078/0173808 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4078/0173808?
Yes, KEHONG BIO provides custom synthesis services for A4078/0173808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.