1,1'-(Phenylphosphorothioyl)di(butan-1-ol)
TL;DR: 1,1'-(Phenylphosphorothioyl)di(butan-1-ol) (CAS 85684-37-3) is a chemical compound with molecular formula C14H23O2PS and molecular weight 286.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-hydroxybutyl(phenyl)phosphinothioyl]butan-1-ol
Also Known As: 1,1'-(Phenylphosphinothioylidene)bis(1-butanol), 1,1'-(Phenylphosphorothioyl)di(butan-1-ol), 1-BUTANOL, 1,1'-(PHENYLPHOSPHINOTHIOYLIDENE)BIS-, 1-[1-hydroxybutyl(phenyl)phosphinothioyl]butan-1-ol, RefChem:1051573
| Molecular Formula | C14H23O2PS |
|---|---|
| Molecular Weight | 286.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.11563 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 85684-37-3 |
|---|---|
| SMILES | CCCC(O)P(=S)(C1=CC=CC=C1)C(CCC)O |
| InChIKey | ZBBDNQRAQNXJMA-UHFFFAOYSA-N |
Product Overview
1,1'-(Phenylphosphorothioyl)di(butan-1-ol) (CAS 85684-37-3), with molecular formula C14H23O2PS and molecular weight 286.12 g/mol. IUPAC: 1-[1-hydroxybutyl(phenyl)phosphinothioyl]butan-1-ol.
Chemical Property Profile of 1,1'-(Phenylphosphorothioyl)di(butan-1-ol)
Property Insights of 1,1'-(Phenylphosphorothioyl)di(butan-1-ol)
The XLogP value of 4.1 indicates that 1,1'-(Phenylphosphorothioyl)di(butan-1-ol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(Phenylphosphorothioyl)di(butan-1-ol). Following Lipinski's Rule of Five, 1,1'-(Phenylphosphorothioyl)di(butan-1-ol) 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 1,1'-(Phenylphosphorothioyl)di(butan-1-ol)?
The CAS number of 1,1'-(Phenylphosphorothioyl)di(butan-1-ol) is 85684-37-3.
What is the molecular formula of 1,1'-(Phenylphosphorothioyl)di(butan-1-ol)?
The molecular formula of 1,1'-(Phenylphosphorothioyl)di(butan-1-ol) is C14H23O2PS.
What is the molecular weight of 1,1'-(Phenylphosphorothioyl)di(butan-1-ol)?
The molecular weight of 1,1'-(Phenylphosphorothioyl)di(butan-1-ol) is 286.12 g/mol.
Where can I buy 1,1'-(Phenylphosphorothioyl)di(butan-1-ol)?
You can request a quote for 1,1'-(Phenylphosphorothioyl)di(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 1,1'-(Phenylphosphorothioyl)di(butan-1-ol)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(Phenylphosphorothioyl)di(butan-1-ol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.