2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane
TL;DR: 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane (CAS 172882-02-9) is a chemical compound with molecular formula C13H22Cl2N3O2P and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)amino]-5,7-dimethyl-2-oxo-1,3-diaza-2λ5-phosphatricyclo[3.3.1.13,7]decan-6-one
Also Known As: 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane, 1,3-Diaza-2-phosphatricyclo(3.3.1.1(sup3,7))decan-6-one, 2-(bis(2-chloroethyl)amino)-5,7-dimethyl-, 2-oxide, 1,3-Diaza-2-phosphatricyclo(3.3.1.1(sup3,7))decan-6-one,5,7-dimethyl-2-phenoxy-,2-oxide, 2-[Bis(2-chloroethyl)amino]-5,7-dimethyl-1,3-diaza-2lambda~5~-phosphatricyclo[3.3.1.1~3,7~]decane-2,6-dione, RefChem:218287
| Molecular Formula | C13H22Cl2N3O2P |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 2.1006 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.08267 |
| Heavy Atoms | 21 |
| Complexity | 465.64484 |
Chemical Identifiers
| CAS Number | 172882-02-9 |
|---|---|
| SMILES | CC12CN3CC(C1=O)(CN(C2)P3(=O)N(CCCl)CCCl)C |
Product Overview
2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane (CAS 172882-02-9), with molecular formula C13H22Cl2N3O2P and molecular weight 353.08 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]-5,7-dimethyl-2-oxo-1,3-diaza-2λ5-phosphatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane
Property Insights of 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane
The XLogP value of 2.1006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane. With a topological polar surface area (TPSA) of 43.86 Ų, 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane has 0 hydrogen bond donor(s) and 2 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 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane?
The CAS number of 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane is 172882-02-9.
What is the molecular formula of 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane?
The molecular formula of 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane is C13H22Cl2N3O2P.
What is the molecular weight of 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane?
The molecular weight of 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane is 353.08 g/mol.
Where can I buy 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane?
You can request a quote for 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 2-Bis(2-chloroethyl)amino-5,7-dimethyl-2,6-dioxo-1,3-diaza-2-phosphaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.