NPPS
TL;DR: NPPS (CAS 51486-54-5) is a chemical compound with molecular formula C7H13O3PS and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propyl-1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane
Also Known As: NPPS, 4-propyl-1-sulfanylidene-2,6,7-trioxa-1, Phosphorothioic acid, cyclic O,O,O-ester with 2-(hydroxymethyl)-2-(n-propyl)-1,3-propandiol, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-propyl-, 1-sulfide, 4-n-Propyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide
| Molecular Formula | C7H13O3PS |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.0323 |
| Heavy Atoms | 12 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 51486-54-5 |
|---|---|
| SMILES | CCCC12COP(=S)(OC1)OC2 |
| InChIKey | TVWURRDFHQMXFZ-UHFFFAOYSA-N |
Product Overview
NPPS (CAS 51486-54-5), with molecular formula C7H13O3PS and molecular weight 208.03 g/mol. IUPAC: 4-propyl-1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane.
Chemical Property Profile of NPPS
Property Insights of NPPS
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NPPS. With a topological polar surface area (TPSA) of 59.8 Ų, NPPS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NPPS 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 NPPS?
The CAS number of NPPS is 51486-54-5.
What is the molecular formula of NPPS?
The molecular formula of NPPS is C7H13O3PS.
What is the molecular weight of NPPS?
The molecular weight of NPPS is 208.03 g/mol.
Where can I buy NPPS?
You can request a quote for NPPS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NPPS?
Yes, KEHONG BIO provides custom synthesis services for NPPS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.