4-(Benzenesulfinyl)butan-1-ol
TL;DR: 4-(Benzenesulfinyl)butan-1-ol (CAS 49639-23-8) is a chemical compound with molecular formula C10H14O2S and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfinyl)butan-1-ol
Also Known As: 4-(benzenesulfinyl)butan-1-ol
| Molecular Formula | C10H14O2S |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.07146 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 49639-23-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)CCCCO |
| InChIKey | DJOVLQDMLRNQMS-UHFFFAOYSA-N |
Product Overview
4-(Benzenesulfinyl)butan-1-ol (CAS 49639-23-8), with molecular formula C10H14O2S and molecular weight 198.07 g/mol. IUPAC: 4-(benzenesulfinyl)butan-1-ol.
Chemical Property Profile of 4-(Benzenesulfinyl)butan-1-ol
Property Insights of 4-(Benzenesulfinyl)butan-1-ol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzenesulfinyl)butan-1-ol. With a topological polar surface area (TPSA) of 56.5 Ų, 4-(Benzenesulfinyl)butan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzenesulfinyl)butan-1-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 4-(Benzenesulfinyl)butan-1-ol?
The CAS number of 4-(Benzenesulfinyl)butan-1-ol is 49639-23-8.
What is the molecular formula of 4-(Benzenesulfinyl)butan-1-ol?
The molecular formula of 4-(Benzenesulfinyl)butan-1-ol is C10H14O2S.
What is the molecular weight of 4-(Benzenesulfinyl)butan-1-ol?
The molecular weight of 4-(Benzenesulfinyl)butan-1-ol is 198.07 g/mol.
Where can I buy 4-(Benzenesulfinyl)butan-1-ol?
You can request a quote for 4-(Benzenesulfinyl)butan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzenesulfinyl)butan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzenesulfinyl)butan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.