(1S)-2-chloro-1-(4-nitrophenyl)ethanol
TL;DR: (1S)-2-chloro-1-(4-nitrophenyl)ethanol (CAS 216160-44-0) is a chemical compound with molecular formula C8H8ClNO3 and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-2-chloro-1-(4-nitrophenyl)ethanol
Also Known As: (1S)-2-chloro-1-(4-nitrophenyl)ethanol, Benzenemethanol,alpha- -4-nitro-, -, (S)-1-(4-Nitrophenyl)-2-chloroethanol, J1.006.164D, (1S)-2-chloro-1-(4-nitrophenyl)ethan-1-ol
| Molecular Formula | C8H8ClNO3 |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.01927 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 216160-44-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@@H](CCl)O)[N+](=O)[O-] |
| InChIKey | ZUJVGRUIXVTXOX-MRVPVSSYSA-N |
Product Overview
(1S)-2-chloro-1-(4-nitrophenyl)ethanol (CAS 216160-44-0), with molecular formula C8H8ClNO3 and molecular weight 201.02 g/mol. IUPAC: (1S)-2-chloro-1-(4-nitrophenyl)ethanol.
Chemical Property Profile of (1S)-2-chloro-1-(4-nitrophenyl)ethanol
Property Insights of (1S)-2-chloro-1-(4-nitrophenyl)ethanol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-2-chloro-1-(4-nitrophenyl)ethanol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S)-2-chloro-1-(4-nitrophenyl)ethanol. Following Lipinski's Rule of Five, (1S)-2-chloro-1-(4-nitrophenyl)ethanol has 1 hydrogen bond donor(s) and 3 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 (1S)-2-chloro-1-(4-nitrophenyl)ethanol?
The CAS number of (1S)-2-chloro-1-(4-nitrophenyl)ethanol is 216160-44-0.
What is the molecular formula of (1S)-2-chloro-1-(4-nitrophenyl)ethanol?
The molecular formula of (1S)-2-chloro-1-(4-nitrophenyl)ethanol is C8H8ClNO3.
What is the molecular weight of (1S)-2-chloro-1-(4-nitrophenyl)ethanol?
The molecular weight of (1S)-2-chloro-1-(4-nitrophenyl)ethanol is 201.02 g/mol.
Where can I buy (1S)-2-chloro-1-(4-nitrophenyl)ethanol?
You can request a quote for (1S)-2-chloro-1-(4-nitrophenyl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S)-2-chloro-1-(4-nitrophenyl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for (1S)-2-chloro-1-(4-nitrophenyl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.