N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine
TL;DR: N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine (CAS 2091-02-3) is a chemical compound with molecular formula C10H12Cl2NO3P and molecular weight 294.99 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-benzodioxaphosphol-2-amine
Also Known As: N,N-bis(2-chloroethyl)-2-oxo-1,3,2, 2-[Bis(2-chloroethyl)amino]-2H-1,3,2lambda~5~-benzodioxaphosphol-2-one, N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine
| Molecular Formula | C10H12Cl2NO3P |
|---|---|
| Molecular Weight | 294.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.9932 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 2091-02-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OP(=O)(O2)N(CCCl)CCCl |
| InChIKey | CQSQCEIFDWENFW-UHFFFAOYSA-N |
Product Overview
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine (CAS 2091-02-3), with molecular formula C10H12Cl2NO3P and molecular weight 294.99 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine.
Chemical Property Profile of N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine
Property Insights of N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine. With a topological polar surface area (TPSA) of 38.8 Ų, N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine has 0 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 N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine?
The CAS number of N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine is 2091-02-3.
What is the molecular formula of N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine?
The molecular formula of N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine is C10H12Cl2NO3P.
What is the molecular weight of N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine?
The molecular weight of N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine is 294.99 g/mol.
Where can I buy N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine?
You can request a quote for N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-benzodioxaphosphol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.