BAS 00390288
TL;DR: BAS 00390288 (CAS 294849-91-5) is a chemical compound with molecular formula C22H19Cl2N7O7 and molecular weight 563.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione
Also Known As: BAS 00390288, 3-{5-nitro-2-furyl}acrylaldehyde {7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazone, 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(E)-2-[(2Z)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-{[(1E,3E)-4-(5-nitro(2-furyl))-1-azabuta-1,3-dienyl]amino}-7-[3-(2,4-dichlor ophenoxy)-2-hydroxypropyl]-3-methyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C22H19Cl2N7O7 |
|---|---|
| Molecular Weight | 563.07 g/mol |
| LogP | 2.7823 |
| Topological Polar Surface Area | 182.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 563.0723 |
| Heavy Atoms | 38 |
| Complexity | 1668.682 |
Chemical Identifiers
| CAS Number | 294849-91-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C=C/C3=CC=C(O3)[N+](=O)[O-])CC(COC4=C(C=C(C=C4)Cl)Cl)O |
Product Overview
BAS 00390288 (CAS 294849-91-5), with molecular formula C22H19Cl2N7O7 and molecular weight 563.07 g/mol. IUPAC: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of BAS 00390288
Property Insights of BAS 00390288
The XLogP value of 2.7823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00390288. The TPSA of 182.81 Ų indicates high polarity, suggesting BAS 00390288 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00390288 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00390288?
The CAS number of BAS 00390288 is 294849-91-5.
What is the molecular formula of BAS 00390288?
The molecular formula of BAS 00390288 is C22H19Cl2N7O7.
What is the molecular weight of BAS 00390288?
The molecular weight of BAS 00390288 is 563.07 g/mol.
Where can I buy BAS 00390288?
You can request a quote for BAS 00390288 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00390288?
Yes, KEHONG BIO provides custom synthesis services for BAS 00390288 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.