2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide
TL;DR: 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide (CAS 156454-80-7) is a chemical compound with molecular formula C11H13Cl2N2O3P and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)amino]-2-oxo-3H-1,3,2λ5-benzoxazaphosphinin-4-one
Also Known As: 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide, 2-[bis(2-chloroethyl)amino]-2-oxo-3H-1,3,2, 2,3-Dihydro-2-(bis(2-chloroethyl)amino)-4H-1,3,2-benzoxazaphosphorin-4-one 2-oxide, 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-2-(bis(2-chloroethyl)amino)-, 2-oxide, 2-[Bis(2-chloroethyl)amino]-2H-1,3,2-benzoxazaphosphorin-4(3H)-one 2-oxide
| Molecular Formula | C11H13Cl2N2O3P |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 2.6965 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.0041 |
| Heavy Atoms | 19 |
| Complexity | 520.4167 |
Chemical Identifiers
| CAS Number | 156454-80-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NP(=O)(O2)N(CCCl)CCCl |
Product Overview
2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide (CAS 156454-80-7), with molecular formula C11H13Cl2N2O3P and molecular weight 322.00 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]-2-oxo-3H-1,3,2λ5-benzoxazaphosphinin-4-one.
Chemical Property Profile of 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide
Property Insights of 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide
The XLogP value of 2.6965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide. With a topological polar surface area (TPSA) of 58.64 Ų, 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide has 1 hydrogen bond donor(s) and 3 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)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide?
The CAS number of 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide is 156454-80-7.
What is the molecular formula of 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide?
The molecular formula of 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide is C11H13Cl2N2O3P.
What is the molecular weight of 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide?
The molecular weight of 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide is 322.00 g/mol.
Where can I buy 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide?
You can request a quote for 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 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)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bis(2-chloroethyl)amino)-2,3-dihydro-1,3,2-benzoxazaphosphorin-4-one 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.