RefChem:234648
TL;DR: RefChem:234648 (CAS 442-85-3) is a chemical compound with molecular formula C13H28ClN2O8PS2 and molecular weight 470.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]-(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate
Also Known As: KST-1B4303, 3-[[3-(2-chloroethyl)-2-oxo-1,3,2, {[3-(2-chloroethyl)-2-oxido-1,3,2-oxazaphosphinan-2-yl]imino}dipropane-3,1-diyl dimethanesulfonate, 1-Propanol, 3,3'-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)imino)bis-, dimethanesulfonate (ester), P-oxide, ((3-(2-Chloroethyl)-2-oxido-1,3,2-oxazaphosphinan-2-yl)azanediyl)bis(propane-3,1-diyl) dimethanesulfonate
| Molecular Formula | C13H28ClN2O8PS2 |
|---|---|
| Molecular Weight | 470.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 470.07132 |
| Heavy Atoms | 27 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 442-85-3 |
|---|---|
| SMILES | CS(=O)(=O)OCCCN(CCCOS(=O)(=O)C)P1(=O)N(CCCO1)CCCl |
| InChIKey | CPMUZAHZMMONPM-UHFFFAOYSA-N |
Product Overview
RefChem:234648 (CAS 442-85-3), with molecular formula C13H28ClN2O8PS2 and molecular weight 470.07 g/mol. IUPAC: 3-[[3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]-(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate.
Chemical Property Profile of RefChem:234648
Property Insights of RefChem:234648
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:234648. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:234648. Following Lipinski's Rule of Five, RefChem:234648 has 0 hydrogen bond donor(s) and 10 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:234648?
The CAS number of RefChem:234648 is 442-85-3.
What is the molecular formula of RefChem:234648?
The molecular formula of RefChem:234648 is C13H28ClN2O8PS2.
What is the molecular weight of RefChem:234648?
The molecular weight of RefChem:234648 is 470.07 g/mol.
Where can I buy RefChem:234648?
You can request a quote for RefChem:234648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:234648?
Yes, KEHONG BIO provides custom synthesis services for RefChem:234648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.