(S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one
TL;DR: (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one (CAS 847667-20-3) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(S)-hydroxy-(4-nitrophenyl)methyl]cyclohex-2-en-1-one
Also Known As: NTM-7-25, CMLD2_000148, J2.578.266F, (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one, (s)-2-(hydroxy(4-nitrophenyl)methyl)cyclohex-2-enone
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.3076 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 504.22745 |
Chemical Identifiers
| CAS Number | 847667-20-3 |
|---|---|
| SMILES | C1CC=C(C(=O)C1)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O |
Product Overview
(S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one (CAS 847667-20-3), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: 2-[(S)-hydroxy-(4-nitrophenyl)methyl]cyclohex-2-en-1-one.
Chemical Property Profile of (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one
Property Insights of (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one
The XLogP value of 2.3076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one. Following Lipinski's Rule of Five, (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one?
The CAS number of (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one is 847667-20-3.
What is the molecular formula of (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one?
The molecular formula of (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one is C13H13NO4.
What is the molecular weight of (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one?
The molecular weight of (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one is 247.08 g/mol.
Where can I buy (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one?
You can request a quote for (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(Hydroxy(4-nitrophenyl)methyl)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.