4-S-(丙酸)硫代环磷酰胺
TL;DR: 4-S-(丙酸)硫代环磷酰胺 (CAS 72711-84-3) is a chemical compound with molecular formula C10H19Cl2N2O4PS and molecular weight 364.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-S-(丙酸)硫代环磷酰胺
3-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]sulfanyl]propanoic acid
Also Known As: Bharangin, PASP, Sodium of Polyaspartic Acid, 4-S-(Propionic acid)sulfidocyclophosphamide, Cid 129829
| Molecular Formula | C10H19Cl2N2O4PS |
|---|---|
| Molecular Weight | 364.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 364.01804 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 72711-84-3 |
|---|---|
| SMILES | C1COP(=O)(NC1SCCC(=O)O)N(CCCl)CCCl |
| InChIKey | VGLDEEJEJWQCBP-UHFFFAOYSA-N |
Product Overview
4-S-(丙酸)硫代环磷酰胺 (CAS 72711-84-3), with molecular formula C10H19Cl2N2O4PS and molecular weight 364.02 g/mol. IUPAC: 3-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]sulfanyl]propanoic acid.
Chemical Property Profile of 4-S-(丙酸)硫代环磷酰胺
Property Insights of 4-S-(丙酸)硫代环磷酰胺
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-S-(丙酸)硫代环磷酰胺. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-S-(丙酸)硫代环磷酰胺. Following Lipinski's Rule of Five, 4-S-(丙酸)硫代环磷酰胺 has 2 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 4-S-(丙酸)硫代环磷酰胺?
The CAS number of 4-S-(丙酸)硫代环磷酰胺 is 72711-84-3.
What is the molecular formula of 4-S-(丙酸)硫代环磷酰胺?
The molecular formula of 4-S-(丙酸)硫代环磷酰胺 is C10H19Cl2N2O4PS.
What is the molecular weight of 4-S-(丙酸)硫代环磷酰胺?
The molecular weight of 4-S-(丙酸)硫代环磷酰胺 is 364.02 g/mol.
Where can I buy 4-S-(丙酸)硫代环磷酰胺?
You can request a quote for 4-S-(丙酸)硫代环磷酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-S-(丙酸)硫代环磷酰胺?
Yes, KEHONG BIO provides custom synthesis services for 4-S-(丙酸)硫代环磷酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.