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3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide
TL;DR: 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide (CAS 339100-18-4) is a chemical compound with molecular formula C15H13Cl2NOS and molecular weight 325.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-(2-phenylsulfanylethyl)benzamide
Also Known As: 3,4-dichloro-N-(2-phenylsulfanylethyl)benzamide, 8L-562S, 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide, 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzamide
| Molecular Formula | C15H13Cl2NOS |
|---|---|
| Molecular Weight | 325.01 g/mol |
| LogP | 4.5155 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.0095 |
| Heavy Atoms | 20 |
| Complexity | 589.6823 |
Chemical Identifiers
| CAS Number | 339100-18-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide (CAS 339100-18-4), with molecular formula C15H13Cl2NOS and molecular weight 325.01 g/mol. IUPAC: 3,4-dichloro-N-(2-phenylsulfanylethyl)benzamide.
Chemical Property Profile of 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide
Property Insights of 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide
The XLogP value of 4.5155 indicates that 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide has 1 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 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide?
The CAS number of 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide is 339100-18-4.
What is the molecular formula of 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide?
The molecular formula of 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide is C15H13Cl2NOS.
What is the molecular weight of 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide?
The molecular weight of 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide is 325.01 g/mol.
Where can I buy 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide?
You can request a quote for 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-[2-(phenylsulfanyl)ethyl]benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.