1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-
TL;DR: 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl- (CAS 30774-95-9) is a chemical compound with molecular formula C15H24O2S and molecular weight 268.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butylsulfanylphenyl)-2-ethylpropane-1,3-diol
Also Known As: 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-, 2-(p-(Butylthio)phenyl)-2-ethyl-1,3-propanediol, 2-Ethyl-2-(p-n-butylmercaptophenyl)-1,3-propanediol, 2-[4-(butylsulfanyl)phenyl]-2-ethylpropane-1,3-diol, 2-(4-butylsulfanylphenyl)-2-ethylpropane-1,3-diol
| Molecular Formula | C15H24O2S |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 268.1497 |
| Heavy Atoms | 18 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 30774-95-9 |
|---|---|
| SMILES | CCCCSC1=CC=C(C=C1)C(CC)(CO)CO |
| InChIKey | XZDXXCQJZCCDCT-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl- (CAS 30774-95-9), with molecular formula C15H24O2S and molecular weight 268.15 g/mol. IUPAC: 2-(4-butylsulfanylphenyl)-2-ethylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-
Property Insights of 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-
The XLogP value of 3.3 indicates that 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl- 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 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-?
The CAS number of 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl- is 30774-95-9.
What is the molecular formula of 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-?
The molecular formula of 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl- is C15H24O2S.
What is the molecular weight of 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-?
The molecular weight of 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl- is 268.15 g/mol.
Where can I buy 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-?
You can request a quote for 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.