S-Butyl dipiperidinophosphinothioate
TL;DR: S-Butyl dipiperidinophosphinothioate (CAS 28869-81-0) is a chemical compound with molecular formula C14H29N2OPS and molecular weight 304.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butylsulfanyl(piperidin-1-yl)phosphoryl]piperidine
Also Known As: S-Butyl dipiperidinophosphinothioate, s-butyl dipiperidin-1-ylphosphinothioate, Phosphinothioic acid, dipiperidino-, S-butyl ester, Phosphinothioic acid, S-butyl ester, 1-[butylsulfanyl(piperidin-1-yl)phosphoryl]piperidine
| Molecular Formula | C14H29N2OPS |
|---|---|
| Molecular Weight | 304.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.17383 |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 28869-81-0 |
|---|---|
| SMILES | CCCCSP(=O)(N1CCCCC1)N2CCCCC2 |
| InChIKey | NRODSVPWDXZITO-UHFFFAOYSA-N |
Product Overview
S-Butyl dipiperidinophosphinothioate (CAS 28869-81-0), with molecular formula C14H29N2OPS and molecular weight 304.17 g/mol. IUPAC: 1-[butylsulfanyl(piperidin-1-yl)phosphoryl]piperidine.
Chemical Property Profile of S-Butyl dipiperidinophosphinothioate
Property Insights of S-Butyl dipiperidinophosphinothioate
The XLogP value of 3.2 indicates that S-Butyl dipiperidinophosphinothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.9 Ų, S-Butyl dipiperidinophosphinothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Butyl dipiperidinophosphinothioate has 0 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 S-Butyl dipiperidinophosphinothioate?
The CAS number of S-Butyl dipiperidinophosphinothioate is 28869-81-0.
What is the molecular formula of S-Butyl dipiperidinophosphinothioate?
The molecular formula of S-Butyl dipiperidinophosphinothioate is C14H29N2OPS.
What is the molecular weight of S-Butyl dipiperidinophosphinothioate?
The molecular weight of S-Butyl dipiperidinophosphinothioate is 304.17 g/mol.
Where can I buy S-Butyl dipiperidinophosphinothioate?
You can request a quote for S-Butyl dipiperidinophosphinothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Butyl dipiperidinophosphinothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Butyl dipiperidinophosphinothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.