1-Phenyl-heptan-4-one
TL;DR: 1-Phenyl-heptan-4-one (CAS 59541-35-4) is a chemical compound with molecular formula C31H27N5O6S and molecular weight 597.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonyl-4-propan-2-yloxybenzamide
Also Known As: 1-Phenyl-heptan-4-one, N-[4-[2-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-ylidene)hydrazinyl]phenyl]sulfonyl-4-propan-2-yloxy-benzamide, N-[4-[(3-Hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonyl-4-propan-2-yloxybenzamide, N-[4-[2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylidene)hydrazinyl]phenyl]sulfonyl-4-propan-2-yloxybenzamide, N-({4-[2-(3,5-Dioxo-1,2-diphenylpyrazolidin-4-ylidene)hydrazino]phenyl}sulfonyl)-4-isopropoxybenzamide
| Molecular Formula | C31H27N5O6S |
|---|---|
| Molecular Weight | 597.17 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 597.1682 |
| Heavy Atoms | 43 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 59541-35-4 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)O |
| InChIKey | ZJITYUYLFDQEPQ-UHFFFAOYSA-N |
Product Overview
1-Phenyl-heptan-4-one (CAS 59541-35-4), with molecular formula C31H27N5O6S and molecular weight 597.17 g/mol. IUPAC: N-[4-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonyl-4-propan-2-yloxybenzamide.
Chemical Property Profile of 1-Phenyl-heptan-4-one
Property Insights of 1-Phenyl-heptan-4-one
The XLogP value of 6.2 indicates that 1-Phenyl-heptan-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 1-Phenyl-heptan-4-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Phenyl-heptan-4-one has 2 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 1-Phenyl-heptan-4-one?
The CAS number of 1-Phenyl-heptan-4-one is 59541-35-4.
What is the molecular formula of 1-Phenyl-heptan-4-one?
The molecular formula of 1-Phenyl-heptan-4-one is C31H27N5O6S.
What is the molecular weight of 1-Phenyl-heptan-4-one?
The molecular weight of 1-Phenyl-heptan-4-one is 597.17 g/mol.
Where can I buy 1-Phenyl-heptan-4-one?
You can request a quote for 1-Phenyl-heptan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-heptan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-heptan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.