4-(Hexadecylthio)metanilyl fluoride
TL;DR: 4-(Hexadecylthio)metanilyl fluoride (CAS 3848-72-4) is a chemical compound with molecular formula C22H38FNO2S2 and molecular weight 431.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-hexadecylsulfanylbenzenesulfonyl fluoride
Also Known As: starbld0017974, 4-(HEXADECYLTHIO)METANILYL FLUORIDE, 3-Amino-4-(hexadecylthio)benzene-1-sulfonyl fluoride, 3-amino-4-hexadecylsulfanylbenzenesulfonyl fluoride, 3-amino-4-hexadecylsulfanyl-benzenesulfonyl Fluoride
| Molecular Formula | C22H38FNO2S2 |
|---|---|
| Molecular Weight | 431.23 g/mol |
| LogP | 7.5004 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 431.2328 |
| Heavy Atoms | 28 |
| Complexity | 635.42395 |
Chemical Identifiers
| CAS Number | 3848-72-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)S(=O)(=O)F)N |
Product Overview
4-(Hexadecylthio)metanilyl fluoride (CAS 3848-72-4), with molecular formula C22H38FNO2S2 and molecular weight 431.23 g/mol. IUPAC: 3-amino-4-hexadecylsulfanylbenzenesulfonyl fluoride.
Chemical Property Profile of 4-(Hexadecylthio)metanilyl fluoride
Property Insights of 4-(Hexadecylthio)metanilyl fluoride
The XLogP value of 7.5004 indicates that 4-(Hexadecylthio)metanilyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Hexadecylthio)metanilyl fluoride. Following Lipinski's Rule of Five, 4-(Hexadecylthio)metanilyl fluoride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Hexadecylthio)metanilyl fluoride?
The CAS number of 4-(Hexadecylthio)metanilyl fluoride is 3848-72-4.
What is the molecular formula of 4-(Hexadecylthio)metanilyl fluoride?
The molecular formula of 4-(Hexadecylthio)metanilyl fluoride is C22H38FNO2S2.
What is the molecular weight of 4-(Hexadecylthio)metanilyl fluoride?
The molecular weight of 4-(Hexadecylthio)metanilyl fluoride is 431.23 g/mol.
Where can I buy 4-(Hexadecylthio)metanilyl fluoride?
You can request a quote for 4-(Hexadecylthio)metanilyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Hexadecylthio)metanilyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hexadecylthio)metanilyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.