RefChem:228797
TL;DR: RefChem:228797 (CAS 40722-72-3) is a chemical compound with molecular formula C10H22ClN2O5PS and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]amino]butyl methanesulfonate
Also Known As: 1-Butanol, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), P-oxide, 2-[[3-(2-chloroethyl)-2-oxido-1,3,2-oxazaphosphinan-2-ium-2-yl]amino]butyl methanesulfonate, 2-{[3-(2-Chloroethyl)-2-oxo-1,3,2lambda~5~-oxazaphosphinan-2-yl]amino}butyl methanesulfonate, BRN 1085319, RefChem:228797
| Molecular Formula | C10H22ClN2O5PS |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.06757 |
| Heavy Atoms | 20 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 40722-72-3 |
|---|---|
| SMILES | CCC(COS(=O)(=O)C)NP1(=O)N(CCCO1)CCCl |
| InChIKey | HMGJHQGDFPHSAR-UHFFFAOYSA-N |
Product Overview
RefChem:228797 (CAS 40722-72-3), with molecular formula C10H22ClN2O5PS and molecular weight 348.07 g/mol. IUPAC: 2-[[3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]amino]butyl methanesulfonate.
Chemical Property Profile of RefChem:228797
Property Insights of RefChem:228797
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:228797. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:228797. Following Lipinski's Rule of Five, RefChem:228797 has 1 hydrogen bond donor(s) and 7 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 RefChem:228797?
The CAS number of RefChem:228797 is 40722-72-3.
What is the molecular formula of RefChem:228797?
The molecular formula of RefChem:228797 is C10H22ClN2O5PS.
What is the molecular weight of RefChem:228797?
The molecular weight of RefChem:228797 is 348.07 g/mol.
Where can I buy RefChem:228797?
You can request a quote for RefChem:228797 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228797?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228797 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.