![4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide structure](/static/products/6415/64157-86-4.webp)
4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide
TL;DR: 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide (CAS 64157-86-4) is a chemical compound with molecular formula C12H16ClNO2S and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethylsulfanyl)-N-(4-hydroxyphenyl)butanamide
Also Known As: 4-(2-chloroethylsulfanyl)-N-(4-hydroxyphenyl)butanamide, 4-[(2-CHLOROETHYL)SULFANYL]-N-(4-HYDROXYPHENYL)BUTANAMIDE, Butanamide, 4-[(2-chloroethyl)thio]-N-(4-hydroxyphenyl)-
| Molecular Formula | C12H16ClNO2S |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 273.05902 |
| Heavy Atoms | 17 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 64157-86-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CCCSCCCl)O |
| InChIKey | SILALMZXDSSWSK-UHFFFAOYSA-N |
Product Overview
4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide (CAS 64157-86-4), with molecular formula C12H16ClNO2S and molecular weight 273.06 g/mol. IUPAC: 4-(2-chloroethylsulfanyl)-N-(4-hydroxyphenyl)butanamide.
Chemical Property Profile of 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide
Property Insights of 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide. Following Lipinski's Rule of Five, 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide has 2 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 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide?
The CAS number of 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide is 64157-86-4.
What is the molecular formula of 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide?
The molecular formula of 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide is C12H16ClNO2S.
What is the molecular weight of 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide?
The molecular weight of 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide is 273.06 g/mol.
Where can I buy 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide?
You can request a quote for 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Chloroethyl)sulfanyl]-N-(4-hydroxyphenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.