![2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol structure](/static/products/1405/14052-59-6.webp)
2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol
TL;DR: 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol (CAS 14052-59-6) is a chemical compound with molecular formula C12H15Cl2NO3S and molecular weight 323.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-N-[1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]acetamide
Also Known As: 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol, Acetamide, 2,2-Dichloro-N-[2-Hydroxy-1-(hydroxymethyl)-2-[4-(methylthio)phenyl]ethyl]-, 2,2-dichloro-N-[1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]acetamide, 2,2-Dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-[4-(methylthio)phenyl]ethyl]acetamide, 2,2-dichloro-N-{1,3-dihydroxy-1-[4-(methylsulfanyl)phenyl]propan-2-yl}acetamide
| Molecular Formula | C12H15Cl2NO3S |
|---|---|
| Molecular Weight | 323.01 g/mol |
| LogP | 1.7227 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.01498 |
| Heavy Atoms | 19 |
| Complexity | 413.94046 |
Chemical Identifiers
| CAS Number | 14052-59-6 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O |
Product Overview
2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol (CAS 14052-59-6), with molecular formula C12H15Cl2NO3S and molecular weight 323.01 g/mol. IUPAC: 2,2-dichloro-N-[1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]acetamide.
Chemical Property Profile of 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol
Property Insights of 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol
The XLogP value of 1.7227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol. Following Lipinski's Rule of Five, 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol has 3 hydrogen bond donor(s) and 4 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 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol?
The CAS number of 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol is 14052-59-6.
What is the molecular formula of 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol?
The molecular formula of 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol is C12H15Cl2NO3S.
What is the molecular weight of 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol?
The molecular weight of 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol is 323.01 g/mol.
Where can I buy 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol?
You can request a quote for 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dichloroacetylamino)-1-[p-(methylthio)phenyl]-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.