2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide
TL;DR: 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide (CAS 20982-36-9) is a chemical compound with molecular formula C7H16Cl2N3OP and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-amine
Also Known As: B 801, AI3-52990, N,N-bis(2-chloroethyl)-2-oxo-1,3,2, B-801, 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide
| Molecular Formula | C7H16Cl2N3OP |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.0408 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 20982-36-9 |
|---|---|
| SMILES | C1CNP(=O)(NC1)N(CCCl)CCCl |
| InChIKey | DWYVKLNIPSRLQN-UHFFFAOYSA-N |
Product Overview
2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide (CAS 20982-36-9), with molecular formula C7H16Cl2N3OP and molecular weight 259.04 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-amine.
Chemical Property Profile of 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide
Property Insights of 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide. With a topological polar surface area (TPSA) of 44.4 Ų, 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide has 2 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 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide?
The CAS number of 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide is 20982-36-9.
What is the molecular formula of 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide?
The molecular formula of 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide is C7H16Cl2N3OP.
What is the molecular weight of 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide?
The molecular weight of 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide is 259.04 g/mol.
Where can I buy 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide?
You can request a quote for 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide 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)-1,3,2-diazaphosphinane 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bis(2-chloroethyl)amino)-1,3,2-diazaphosphinane 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.