Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester
TL;DR: Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester (CAS 172882-01-8) is a chemical compound with molecular formula C26H32Cl2N3O4P and molecular weight 551.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxyphenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester, 4-(5,7-Dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]decan-2-yl)phenyl phenyl N,N-bis(2-chloroethyl)phosphoramidate, RefChem:370782
| Molecular Formula | C26H32Cl2N3O4P |
|---|---|
| Molecular Weight | 551.15 g/mol |
| LogP | 5.2572 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 551.15076 |
| Heavy Atoms | 36 |
| Complexity | 1103.6381 |
Chemical Identifiers
| CAS Number | 172882-01-8 |
|---|---|
| SMILES | CC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)OP(=O)(N(CCCl)CCCl)OC5=CC=CC=C5)C |
Product Overview
Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester (CAS 172882-01-8), with molecular formula C26H32Cl2N3O4P and molecular weight 551.15 g/mol. IUPAC: 2-[4-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxyphenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester
Property Insights of Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester
The XLogP value of 5.2572 indicates that Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester. Following Lipinski's Rule of Five, Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester?
The CAS number of Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester is 172882-01-8.
What is the molecular formula of Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester?
The molecular formula of Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester is C26H32Cl2N3O4P.
What is the molecular weight of Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester?
The molecular weight of Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester is 551.15 g/mol.
Where can I buy Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester?
You can request a quote for Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoramidic acid, bis(2-chloroethyl)-, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyl phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.