BAS 00834953
TL;DR: BAS 00834953 (CAS 332030-65-6) is a chemical compound with molecular formula C27H19FN2O2 and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methylidene]propanedinitrile
Also Known As: BAS 00834953, 2-[[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methylidene]propanedinitrile, {[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methylidene}propanedinitrile, 2-((2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl)methylene)malononitrile, {[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methylene}methane-1,1- dicarbonitrile
| Molecular Formula | C27H19FN2O2 |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 6.13356 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.14307 |
| Heavy Atoms | 32 |
| Complexity | 1260.9719 |
Chemical Identifiers
| CAS Number | 332030-65-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=C(C(C3=CC=CC=C3O2)C4=CC=C(C=C4)F)C=C(C#N)C#N |
Product Overview
BAS 00834953 (CAS 332030-65-6), with molecular formula C27H19FN2O2 and molecular weight 422.14 g/mol. IUPAC: 2-[[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methylidene]propanedinitrile.
Chemical Property Profile of BAS 00834953
Property Insights of BAS 00834953
The XLogP value of 6.13356 indicates that BAS 00834953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00834953. Following Lipinski's Rule of Five, BAS 00834953 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00834953?
The CAS number of BAS 00834953 is 332030-65-6.
What is the molecular formula of BAS 00834953?
The molecular formula of BAS 00834953 is C27H19FN2O2.
What is the molecular weight of BAS 00834953?
The molecular weight of BAS 00834953 is 422.14 g/mol.
Where can I buy BAS 00834953?
You can request a quote for BAS 00834953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00834953?
Yes, KEHONG BIO provides custom synthesis services for BAS 00834953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.