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Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate
TL;DR: Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate (CAS 81593-13-7) is a chemical compound with molecular formula C18H20NO3P and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphoryl-1a,9b-dihydrophenanthro[9,10-b]azirine
Also Known As: N-(Diethylphosphoryl)phenanthrene 9,10-imine, Phosphonic acid, (1a,9b-dihydro-1H-phenanthro(9,10-b)azirin-1-yl)-, diethyl ester, 1-diethoxyphosphoryl-1a,9b-dihydrophenanthro[9,10-b]azirine, (1a,9b-Dihydro-1H-phenanthro(9,10-b)azirin-1-yl)phosphonic acid diethyl ester, Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate
| Molecular Formula | C18H20NO3P |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.11807 |
| Heavy Atoms | 23 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 81593-13-7 |
|---|---|
| SMILES | CCOP(=O)(N1C2C1C3=CC=CC=C3C4=CC=CC=C24)OCC |
| InChIKey | FICMXWSWATXNGC-UHFFFAOYSA-N |
Product Overview
Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate (CAS 81593-13-7), with molecular formula C18H20NO3P and molecular weight 329.12 g/mol. IUPAC: 1-diethoxyphosphoryl-1a,9b-dihydrophenanthro[9,10-b]azirine.
Chemical Property Profile of Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate
Property Insights of Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate
The XLogP value of 3.0 indicates that Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.5 Ų, Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate 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 Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate?
The CAS number of Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate is 81593-13-7.
What is the molecular formula of Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate?
The molecular formula of Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate is C18H20NO3P.
What is the molecular weight of Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate?
The molecular weight of Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate is 329.12 g/mol.
Where can I buy Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate?
You can request a quote for Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1a,9b-dihydro-1H-phenanthro[9,10-b]aziren-1-ylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.