1-Benzylsulfanyl-3-ethoxypropan-2-ol
TL;DR: 1-Benzylsulfanyl-3-ethoxypropan-2-ol (CAS 5348-03-8) is a chemical compound with molecular formula C12H18O2S and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfanyl-3-ethoxypropan-2-ol
Also Known As: 1-benzylsulfanyl-3-ethoxypropan-2-ol, 1-(benzylthio)-3-ethoxy-2-propanol, 1-benzylsulfanyl-3-ethoxy-propan-2-ol, 1-(BENZYLSULFANYL)-3-ETHOXYPROPAN-2-OL
| Molecular Formula | C12H18O2S |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 2.3172 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.10275 |
| Heavy Atoms | 15 |
| Complexity | 251.05885 |
Chemical Identifiers
| CAS Number | 5348-03-8 |
|---|---|
| SMILES | CCOCC(CSCC1=CC=CC=C1)O |
Product Overview
1-Benzylsulfanyl-3-ethoxypropan-2-ol (CAS 5348-03-8), with molecular formula C12H18O2S and molecular weight 226.10 g/mol. IUPAC: 1-benzylsulfanyl-3-ethoxypropan-2-ol.
Chemical Property Profile of 1-Benzylsulfanyl-3-ethoxypropan-2-ol
Property Insights of 1-Benzylsulfanyl-3-ethoxypropan-2-ol
The XLogP value of 2.3172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylsulfanyl-3-ethoxypropan-2-ol. With a topological polar surface area (TPSA) of 29.46 Ų, 1-Benzylsulfanyl-3-ethoxypropan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzylsulfanyl-3-ethoxypropan-2-ol has 1 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-Benzylsulfanyl-3-ethoxypropan-2-ol?
The CAS number of 1-Benzylsulfanyl-3-ethoxypropan-2-ol is 5348-03-8.
What is the molecular formula of 1-Benzylsulfanyl-3-ethoxypropan-2-ol?
The molecular formula of 1-Benzylsulfanyl-3-ethoxypropan-2-ol is C12H18O2S.
What is the molecular weight of 1-Benzylsulfanyl-3-ethoxypropan-2-ol?
The molecular weight of 1-Benzylsulfanyl-3-ethoxypropan-2-ol is 226.10 g/mol.
Where can I buy 1-Benzylsulfanyl-3-ethoxypropan-2-ol?
You can request a quote for 1-Benzylsulfanyl-3-ethoxypropan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzylsulfanyl-3-ethoxypropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylsulfanyl-3-ethoxypropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.