1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one
TL;DR: 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one (CAS 77921-27-8) is a chemical compound with molecular formula C17H25ClOS and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-1-ethylsulfanylnonan-3-one
Also Known As: 1-(4-chlorophenyl)-1-ethylsulfanylnonan-3-one, 3-Nonanone,1-(4-chlorophenyl)-1-(ethylthio)-, 1-(4-CHLOROPHENYL)-1-(ETHYLSULFANYL)NONAN-3-ONE
| Molecular Formula | C17H25ClOS |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 312.13147 |
| Heavy Atoms | 20 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 77921-27-8 |
|---|---|
| SMILES | CCCCCCC(=O)CC(C1=CC=C(C=C1)Cl)SCC |
| InChIKey | BRSNGXHCTNRWRD-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one (CAS 77921-27-8), with molecular formula C17H25ClOS and molecular weight 312.13 g/mol. IUPAC: 1-(4-chlorophenyl)-1-ethylsulfanylnonan-3-one.
Chemical Property Profile of 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one
Property Insights of 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one
The XLogP value of 5.5 indicates that 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one?
The CAS number of 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one is 77921-27-8.
What is the molecular formula of 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one?
The molecular formula of 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one is C17H25ClOS.
What is the molecular weight of 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one?
The molecular weight of 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one is 312.13 g/mol.
Where can I buy 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one?
You can request a quote for 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-1-(ethylsulfanyl)nonan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.