AJ-804/11075004
TL;DR: AJ-804/11075004 (CAS 13504-72-8) is a chemical compound with molecular formula C23H20NO2P and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(triphenyl-λ5-phosphanylidene)acetate
Also Known As: ethyl cyano(triphenylphosphoranylidene)acetate, ethyl 2-cyano-2-(triphenyl-, AJ-804/11075004, ethyl 2-cyano-2-(triphenyl-lambda5-phosphanylidene)acetate, Ethyl cyano(triphenyl-lambda~5~-phosphanylidene)acetate
| Molecular Formula | C23H20NO2P |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.12317 |
| Heavy Atoms | 27 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 13504-72-8 |
|---|---|
| SMILES | CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N |
| InChIKey | ZTDOSQRNLVWAJF-UHFFFAOYSA-N |
Product Overview
AJ-804/11075004 (CAS 13504-72-8), with molecular formula C23H20NO2P and molecular weight 373.12 g/mol. IUPAC: ethyl 2-cyano-2-(triphenyl-λ5-phosphanylidene)acetate.
Chemical Property Profile of AJ-804/11075004
Property Insights of AJ-804/11075004
The XLogP value of 4.5 indicates that AJ-804/11075004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, AJ-804/11075004 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-804/11075004 has 0 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 AJ-804/11075004?
The CAS number of AJ-804/11075004 is 13504-72-8.
What is the molecular formula of AJ-804/11075004?
The molecular formula of AJ-804/11075004 is C23H20NO2P.
What is the molecular weight of AJ-804/11075004?
The molecular weight of AJ-804/11075004 is 373.12 g/mol.
Where can I buy AJ-804/11075004?
You can request a quote for AJ-804/11075004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-804/11075004?
Yes, KEHONG BIO provides custom synthesis services for AJ-804/11075004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.