Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester
TL;DR: Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester (CAS 172882-00-7) is a chemical compound with molecular formula C19H28Cl2N3O3P and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-7-[(2-chloroethylamino)-phenoxyphosphoryl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Also Known As: Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester, 7-(2-chloroethyl)-3-[(2-chloroethylamino)-phenoxyphosphoryl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one, Phenyl N-(2-chloroethyl)-P-[7-(2-chloroethyl)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-3-yl]phosphonamidate
| Molecular Formula | C19H28Cl2N3O3P |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 3.4536 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.12454 |
| Heavy Atoms | 28 |
| Complexity | 729.1992 |
Chemical Identifiers
| CAS Number | 172882-00-7 |
|---|---|
| SMILES | CC12CN(CC(C1=O)(CN(C2)P(=O)(NCCCl)OC3=CC=CC=C3)C)CCCl |
Product Overview
Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester (CAS 172882-00-7), with molecular formula C19H28Cl2N3O3P and molecular weight 447.12 g/mol. IUPAC: 3-(2-chloroethyl)-7-[(2-chloroethylamino)-phenoxyphosphoryl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one.
Chemical Property Profile of Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester
Property Insights of Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester
The XLogP value of 3.4536 indicates that Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester. Following Lipinski's Rule of Five, Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester has 1 hydrogen bond donor(s) and 4 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 Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester?
The CAS number of Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester is 172882-00-7.
What is the molecular formula of Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester?
The molecular formula of Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester is C19H28Cl2N3O3P.
What is the molecular weight of Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester?
The molecular weight of Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester is 447.12 g/mol.
Where can I buy Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester?
You can request a quote for Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.