N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide
TL;DR: N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide (CAS 889955-82-2) is a chemical compound with molecular formula C14H13FNO3P and molecular weight 293.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-3-oxo-2,4-dihydro-1,5,3λ5-benzodioxaphosphepin-3-amine
Also Known As: ChemDiv3_007079, IDI1_024989, N-(4-fluorophenyl)-3-oxo-2,4-dihydro-1,5,3, BRD-K55658416-001-01-0, A3937/0167620
| Molecular Formula | C14H13FNO3P |
|---|---|
| Molecular Weight | 293.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.0617 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 889955-82-2 |
|---|---|
| SMILES | C1OC2=CC=CC=C2OCP1(=O)NC3=CC=C(C=C3)F |
| InChIKey | RDFQSSDFTVUAKJ-UHFFFAOYSA-N |
Product Overview
N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide (CAS 889955-82-2), with molecular formula C14H13FNO3P and molecular weight 293.06 g/mol. IUPAC: N-(4-fluorophenyl)-3-oxo-2,4-dihydro-1,5,3λ5-benzodioxaphosphepin-3-amine.
Chemical Property Profile of N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide
Property Insights of N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide
The XLogP value of 3.0 indicates that N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide has 1 hydrogen bond donor(s) and 5 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-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide?
The CAS number of N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide is 889955-82-2.
What is the molecular formula of N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide?
The molecular formula of N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide is C14H13FNO3P.
What is the molecular weight of N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide?
The molecular weight of N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide is 293.06 g/mol.
Where can I buy N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide?
You can request a quote for N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.