N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2
TL;DR: N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2 (CAS 57341-46-5) is a chemical compound with molecular formula C11H16Cl2N3OP and molecular weight 307.04 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-3,4-dihydro-1H-1,3,2λ5-benzodiazaphosphinin-2-amine
Also Known As: N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2, 2-[bis(2-chloroethyl)amino]-1H,3H,4H-benzo[e]1,3,2-diazaphosphin-2-one, N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2lambda5-benzodia, 2-[Bis(2-chloroethyl)amino]-1,2,3,4-tetrahydro-1,3,2lambda~5~-benzodiazaphosphinin-2-one, N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2lambda5-benzodiazaphosphinin-2-amine
| Molecular Formula | C11H16Cl2N3OP |
|---|---|
| Molecular Weight | 307.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.0408 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 57341-46-5 |
|---|---|
| SMILES | C1C2=CC=CC=C2NP(=O)(N1)N(CCCl)CCCl |
| InChIKey | XXGFHIZVEQQLAR-UHFFFAOYSA-N |
Product Overview
N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2 (CAS 57341-46-5), with molecular formula C11H16Cl2N3OP and molecular weight 307.04 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2λ5-benzodiazaphosphinin-2-amine.
Chemical Property Profile of N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2
Property Insights of N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2. With a topological polar surface area (TPSA) of 44.4 Ų, N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2 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 N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2?
The CAS number of N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2 is 57341-46-5.
What is the molecular formula of N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2?
The molecular formula of N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2 is C11H16Cl2N3OP.
What is the molecular weight of N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2?
The molecular weight of N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2 is 307.04 g/mol.
Where can I buy N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2?
You can request a quote for N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2 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-3,4-dihydro-1H-1,3,2?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-chloroethyl)-2-oxo-3,4-dihydro-1H-1,3,2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.