![1-[(1S)-1-chloroethyl]-3-nitrobenzene structure](/static/products/213/2137077-91-7.png)
1-[(1S)-1-chloroethyl]-3-nitrobenzene
TL;DR: 1-[(1S)-1-chloroethyl]-3-nitrobenzene (CAS 2137077-91-7) is a chemical compound with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S)-1-chloroethyl]-3-nitrobenzene
Also Known As: 1-[(1S)-1-chloroethyl]-3-nitrobenzene, starbld0022670, (S)-1-(1-Chloroethyl)-3-nitrobenzene
| Molecular Formula | C8H8ClNO2 |
|---|---|
| Molecular Weight | 185.02 g/mol |
| LogP | 2.8946 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.02435 |
| Heavy Atoms | 12 |
| Complexity | 298.86426 |
Chemical Identifiers
| CAS Number | 2137077-91-7 |
|---|---|
| SMILES | C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])Cl |
Product Overview
1-[(1S)-1-chloroethyl]-3-nitrobenzene (CAS 2137077-91-7), with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol. IUPAC: 1-[(1S)-1-chloroethyl]-3-nitrobenzene.
Chemical Property Profile of 1-[(1S)-1-chloroethyl]-3-nitrobenzene
Property Insights of 1-[(1S)-1-chloroethyl]-3-nitrobenzene
The XLogP value of 2.8946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(1S)-1-chloroethyl]-3-nitrobenzene. With a topological polar surface area (TPSA) of 43.14 Ų, 1-[(1S)-1-chloroethyl]-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(1S)-1-chloroethyl]-3-nitrobenzene has 0 hydrogen bond donor(s) and 2 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 1-[(1S)-1-chloroethyl]-3-nitrobenzene?
The CAS number of 1-[(1S)-1-chloroethyl]-3-nitrobenzene is 2137077-91-7.
What is the molecular formula of 1-[(1S)-1-chloroethyl]-3-nitrobenzene?
The molecular formula of 1-[(1S)-1-chloroethyl]-3-nitrobenzene is C8H8ClNO2.
What is the molecular weight of 1-[(1S)-1-chloroethyl]-3-nitrobenzene?
The molecular weight of 1-[(1S)-1-chloroethyl]-3-nitrobenzene is 185.02 g/mol.
Where can I buy 1-[(1S)-1-chloroethyl]-3-nitrobenzene?
You can request a quote for 1-[(1S)-1-chloroethyl]-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(1S)-1-chloroethyl]-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(1S)-1-chloroethyl]-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.