NCIOpen2_007526
TL;DR: NCIOpen2_007526 (CAS 6947-89-3) is a chemical compound with molecular formula C23H20NO+ and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[4-(2-phenylchromen-4-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium
Also Known As: NCIOpen2_007526, Dimethyl(4-(2-phenyl-4H-chromen-4-ylidene)-2,5-cyclohexadien-1-ylidene)-lambda(5)-azane, Dimethyl(4-(2-phenyl-4H-chromen-4-ylidene)-2,5-cyclohexadien-1-ylidene)-.lambda.~5~-azane, dimethyl-[4-(2-phenylchromen-4-ylidene)cyclohexa-2,5-dien-1-ylidene]ammonium, dimethyl-[4-(2-phenylchromen-4-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium
| Molecular Formula | C23H20NO+ |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 12.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.15448 |
| Heavy Atoms | 25 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 6947-89-3 |
|---|---|
| SMILES | C[N+](=C1C=CC(=C2C=C(OC3=CC=CC=C32)C4=CC=CC=C4)C=C1)C |
| InChIKey | BJVQGFOSPIISLM-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007526 (CAS 6947-89-3), with molecular formula C23H20NO+ and molecular weight 326.15 g/mol. IUPAC: dimethyl-[4-(2-phenylchromen-4-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium.
Chemical Property Profile of NCIOpen2_007526
Property Insights of NCIOpen2_007526
The XLogP value of 4.2 indicates that NCIOpen2_007526 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.2 Ų, NCIOpen2_007526 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_007526 has 0 hydrogen bond donor(s) and 1 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 NCIOpen2_007526?
The CAS number of NCIOpen2_007526 is 6947-89-3.
What is the molecular formula of NCIOpen2_007526?
The molecular formula of NCIOpen2_007526 is C23H20NO+.
What is the molecular weight of NCIOpen2_007526?
The molecular weight of NCIOpen2_007526 is 326.15 g/mol.
Where can I buy NCIOpen2_007526?
You can request a quote for NCIOpen2_007526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007526?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.