BAS 00369329
TL;DR: BAS 00369329 (CAS 331271-25-1) is a chemical compound with molecular formula C24H25N7O6 and molecular weight 507.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
Also Known As: BAS 00369329, 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione, 3-nitrobenzaldehyde {7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazone
| Molecular Formula | C24H25N7O6 |
|---|---|
| Molecular Weight | 507.19 g/mol |
| LogP | 1.7798 |
| Topological Polar Surface Area | 169.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 507.18665 |
| Heavy Atoms | 37 |
| Complexity | 1569.4935 |
Chemical Identifiers
| CAS Number | 331271-25-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N/N=C/C4=CC(=CC=C4)[N+](=O)[O-])N(C(=O)NC3=O)C)O |
Product Overview
BAS 00369329 (CAS 331271-25-1), with molecular formula C24H25N7O6 and molecular weight 507.19 g/mol. IUPAC: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of BAS 00369329
Property Insights of BAS 00369329
The XLogP value of 1.7798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00369329. The TPSA of 169.67 Ų indicates high polarity, suggesting BAS 00369329 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00369329 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00369329?
The CAS number of BAS 00369329 is 331271-25-1.
What is the molecular formula of BAS 00369329?
The molecular formula of BAS 00369329 is C24H25N7O6.
What is the molecular weight of BAS 00369329?
The molecular weight of BAS 00369329 is 507.19 g/mol.
Where can I buy BAS 00369329?
You can request a quote for BAS 00369329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00369329?
Yes, KEHONG BIO provides custom synthesis services for BAS 00369329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.