2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene
TL;DR: 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene (CAS 52548-34-2) is a chemical compound with molecular formula C13H10ClNO2S and molecular weight 279.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-4-nitro-1-phenylsulfanylbenzene
Also Known As: 2-(chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene, 3-nitro-6-(phenylthio)-benzyl chloride, 2-(chloromethyl)-4-nitro-1-phenylsulfanylbenzene, (2-(Chloromethyl)-4-nitrophenyl)(phenyl)sulfane, AE-641/30103056
| Molecular Formula | C13H10ClNO2S |
|---|---|
| Molecular Weight | 279.01 g/mol |
| LogP | 4.4848 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.0121 |
| Heavy Atoms | 18 |
| Complexity | 560.1726 |
Chemical Identifiers
| CAS Number | 52548-34-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])CCl |
Product Overview
2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene (CAS 52548-34-2), with molecular formula C13H10ClNO2S and molecular weight 279.01 g/mol. IUPAC: 2-(chloromethyl)-4-nitro-1-phenylsulfanylbenzene.
Chemical Property Profile of 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene
Property Insights of 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene
The XLogP value of 4.4848 indicates that 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene has 0 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 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene?
The CAS number of 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene is 52548-34-2.
What is the molecular formula of 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene?
The molecular formula of 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene is C13H10ClNO2S.
What is the molecular weight of 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene?
The molecular weight of 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene is 279.01 g/mol.
Where can I buy 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene?
You can request a quote for 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-4-nitro-1-(phenylsulfanyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.