1-Butylsulfonyl-3-phenoxypropan-2-ol
TL;DR: 1-Butylsulfonyl-3-phenoxypropan-2-ol (CAS 5350-72-1) is a chemical compound with molecular formula C13H20O4S and molecular weight 272.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylsulfonyl-3-phenoxypropan-2-ol
Also Known As: 1-butylsulfonyl-3-phenoxypropan-2-ol, MixCom6_001292, 1-(butylsulfonyl)-3-phenoxy-2-propanol, BIM-0024244.P001, 1-(Butane-1-sulfonyl)-3-phenoxypropan-2-ol
| Molecular Formula | C13H20O4S |
|---|---|
| Molecular Weight | 272.11 g/mol |
| LogP | 1.6412 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 272.10822 |
| Heavy Atoms | 18 |
| Complexity | 427.56427 |
Chemical Identifiers
| CAS Number | 5350-72-1 |
|---|---|
| SMILES | CCCCS(=O)(=O)CC(COC1=CC=CC=C1)O |
Product Overview
1-Butylsulfonyl-3-phenoxypropan-2-ol (CAS 5350-72-1), with molecular formula C13H20O4S and molecular weight 272.11 g/mol. IUPAC: 1-butylsulfonyl-3-phenoxypropan-2-ol.
Chemical Property Profile of 1-Butylsulfonyl-3-phenoxypropan-2-ol
Property Insights of 1-Butylsulfonyl-3-phenoxypropan-2-ol
The XLogP value of 1.6412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butylsulfonyl-3-phenoxypropan-2-ol. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butylsulfonyl-3-phenoxypropan-2-ol. Following Lipinski's Rule of Five, 1-Butylsulfonyl-3-phenoxypropan-2-ol has 1 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 1-Butylsulfonyl-3-phenoxypropan-2-ol?
The CAS number of 1-Butylsulfonyl-3-phenoxypropan-2-ol is 5350-72-1.
What is the molecular formula of 1-Butylsulfonyl-3-phenoxypropan-2-ol?
The molecular formula of 1-Butylsulfonyl-3-phenoxypropan-2-ol is C13H20O4S.
What is the molecular weight of 1-Butylsulfonyl-3-phenoxypropan-2-ol?
The molecular weight of 1-Butylsulfonyl-3-phenoxypropan-2-ol is 272.11 g/mol.
Where can I buy 1-Butylsulfonyl-3-phenoxypropan-2-ol?
You can request a quote for 1-Butylsulfonyl-3-phenoxypropan-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-Butylsulfonyl-3-phenoxypropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylsulfonyl-3-phenoxypropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.