Hexadecyl 2-nitrophenyl sulfide
TL;DR: Hexadecyl 2-nitrophenyl sulfide (CAS 113251-93-7) is a chemical compound with molecular formula C22H37NO2S and molecular weight 379.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexadecylsulfanyl-2-nitrobenzene
Also Known As: 1-hexadecylsulfanyl-2-nitrobenzene, HEXADECYL 2-NITROPHENYL SULFIDE, 1-(2-nitrophenyl)sulfanylhexadecane
| Molecular Formula | C22H37NO2S |
|---|---|
| Molecular Weight | 379.25 g/mol |
| LogP | 8.1682 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 379.2545 |
| Heavy Atoms | 26 |
| Complexity | 478.965 |
Chemical Identifiers
| CAS Number | 113251-93-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
Hexadecyl 2-nitrophenyl sulfide (CAS 113251-93-7), with molecular formula C22H37NO2S and molecular weight 379.25 g/mol. IUPAC: 1-hexadecylsulfanyl-2-nitrobenzene.
Chemical Property Profile of Hexadecyl 2-nitrophenyl sulfide
Property Insights of Hexadecyl 2-nitrophenyl sulfide
The XLogP value of 8.1682 indicates that Hexadecyl 2-nitrophenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, Hexadecyl 2-nitrophenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl 2-nitrophenyl sulfide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecyl 2-nitrophenyl sulfide?
The CAS number of Hexadecyl 2-nitrophenyl sulfide is 113251-93-7.
What is the molecular formula of Hexadecyl 2-nitrophenyl sulfide?
The molecular formula of Hexadecyl 2-nitrophenyl sulfide is C22H37NO2S.
What is the molecular weight of Hexadecyl 2-nitrophenyl sulfide?
The molecular weight of Hexadecyl 2-nitrophenyl sulfide is 379.25 g/mol.
Where can I buy Hexadecyl 2-nitrophenyl sulfide?
You can request a quote for Hexadecyl 2-nitrophenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl 2-nitrophenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl 2-nitrophenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.