WR 80855
TL;DR: WR 80855 (CAS 20709-40-4) is a chemical compound with molecular formula C9H27N2O3PS and molecular weight 274.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminobutylamino)propylsulfanylphosphonic acid;methane
Also Known As: S-3-((4-Aminobutyl)amino)propyl dihydrogen phosphorothioate dihydrate, S-2-(4-aminobutaneamino)propylphosphorothioate, 3-(4-aminobutylamino)propylsulfanylphosphonic acid; methane, 3-(4-aminobutylamino)propylsulfanylphosphonic acid;methane, 1-Propanethiol, 3-((4-aminobutyl)amino)-, dihydrogen phosphate (ester)
| Molecular Formula | C9H27N2O3PS |
|---|---|
| Molecular Weight | 274.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 274.148 |
| Heavy Atoms | 16 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 20709-40-4 |
|---|---|
| SMILES | C.C.C(CCNCCCSP(=O)(O)O)CN |
| InChIKey | NPGJXAIEICLLSP-UHFFFAOYSA-N |
Product Overview
WR 80855 (CAS 20709-40-4), with molecular formula C9H27N2O3PS and molecular weight 274.15 g/mol. IUPAC: 3-(4-aminobutylamino)propylsulfanylphosphonic acid;methane.
Chemical Property Profile of WR 80855
Property Insights of WR 80855
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for WR 80855. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for WR 80855. Following Lipinski's Rule of Five, WR 80855 has 4 hydrogen bond donor(s) and 6 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 WR 80855?
The CAS number of WR 80855 is 20709-40-4.
What is the molecular formula of WR 80855?
The molecular formula of WR 80855 is C9H27N2O3PS.
What is the molecular weight of WR 80855?
The molecular weight of WR 80855 is 274.15 g/mol.
Where can I buy WR 80855?
You can request a quote for WR 80855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WR 80855?
Yes, KEHONG BIO provides custom synthesis services for WR 80855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.