Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide
TL;DR: Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide (CAS 135732-01-3) is a chemical compound with molecular formula C23H28ClN2O7P and molecular weight 510.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-chloroethyl-(3-oxo-2,4,11,14,17,20-hexaoxa-3λ5-phosphatricyclo[19.4.0.05,10]pentacosa-1(25),5,7,9,21,23-hexaen-3-yl)amino]propanenitrile
Also Known As: Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide, N,N-(beta-Chloroethyl-beta-cyanoethyl)amidophosphoryldibenzo-17-crown-6, N,N-(EC-chloroethyl-EC-cyanoethyl)amidophosphoryldibenzo-17-crown-6, 3-[(2-Chloroethyl)(20-oxo-6,7,9,10,12,13-hexahydro-20H-20lambda~5~-dibenzo[d,p][1,3,6,9,12,15,2]hexaoxaphosphacycloheptadecin-20-yl)amino]propanenitrile, Propanenitrile,3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-,P-oxide
| Molecular Formula | C23H28ClN2O7P |
|---|---|
| Molecular Weight | 510.13 g/mol |
| LogP | 4.51138 |
| Topological Polar Surface Area | 99.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.13226 |
| Heavy Atoms | 34 |
| Complexity | 926.28613 |
Chemical Identifiers
| CAS Number | 135732-01-3 |
|---|---|
| SMILES | C1COCCOC2=CC=CC=C2OP(=O)(OC3=CC=CC=C3OCCO1)N(CCC#N)CCCl |
Product Overview
Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide (CAS 135732-01-3), with molecular formula C23H28ClN2O7P and molecular weight 510.13 g/mol. IUPAC: 3-[2-chloroethyl-(3-oxo-2,4,11,14,17,20-hexaoxa-3λ5-phosphatricyclo[19.4.0.05,10]pentacosa-1(25),5,7,9,21,23-hexaen-3-yl)amino]propanenitrile.
Chemical Property Profile of Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide
Property Insights of Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide
The XLogP value of 4.51138 indicates that Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide. Following Lipinski's Rule of Five, Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide?
The CAS number of Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide is 135732-01-3.
What is the molecular formula of Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide?
The molecular formula of Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide is C23H28ClN2O7P.
What is the molecular weight of Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide?
The molecular weight of Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide is 510.13 g/mol.
Where can I buy Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide?
You can request a quote for Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.