BAS 00591408
TL;DR: BAS 00591408 (CAS 325824-59-7) is a chemical compound with molecular formula C24H18N2O4 and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol
Also Known As: BAS 00591408, (6Z)-4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-6-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one, 4-((1E,3E)-4-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-1-azabuta-1,3-dienyl)-2-(5-met hylbenzoxazol-2-yl)phenol, 4-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)allylidene)amino)-2-(5-methylbenzo[d]oxazol-2-yl)phenol, 4-[(E)-[(2E)-3-(2H-1,3-BENZODIOXOL-5-YL)PROP-2-EN-1-YLIDENE]AMINO]-2-(5-METHYL-1,3-BENZOXAZOL-2-YL)PHENOL
| Molecular Formula | C24H18N2O4 |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 5.65322 |
| Topological Polar Surface Area | 77.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.12665 |
| Heavy Atoms | 30 |
| Complexity | 1304.0575 |
Chemical Identifiers
| CAS Number | 325824-59-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)N=C/C=C/C4=CC5=C(C=C4)OCO5)O |
Product Overview
BAS 00591408 (CAS 325824-59-7), with molecular formula C24H18N2O4 and molecular weight 398.13 g/mol. IUPAC: 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol.
Chemical Property Profile of BAS 00591408
Property Insights of BAS 00591408
The XLogP value of 5.65322 indicates that BAS 00591408 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00591408. Following Lipinski's Rule of Five, BAS 00591408 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00591408?
The CAS number of BAS 00591408 is 325824-59-7.
What is the molecular formula of BAS 00591408?
The molecular formula of BAS 00591408 is C24H18N2O4.
What is the molecular weight of BAS 00591408?
The molecular weight of BAS 00591408 is 398.13 g/mol.
Where can I buy BAS 00591408?
You can request a quote for BAS 00591408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00591408?
Yes, KEHONG BIO provides custom synthesis services for BAS 00591408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.