BAS 00340059
TL;DR: BAS 00340059 (CAS 331235-44-0) is a chemical compound with molecular formula C20H17N7O4 and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
Also Known As: BAS 00340059, 3-nitrobenzaldehyde (7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone, 7-benzyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione, 8-{[(1E)-2-(3-nitrophenyl)-1-azavinyl]amino}-3-methyl-7-benzyl-1,3,7-trihydrop urine-2,6-dione
| Molecular Formula | C20H17N7O4 |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 1.8258 |
| Topological Polar Surface Area | 140.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.13422 |
| Heavy Atoms | 31 |
| Complexity | 1417.2354 |
Chemical Identifiers
| CAS Number | 331235-44-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4 |
Product Overview
BAS 00340059 (CAS 331235-44-0), with molecular formula C20H17N7O4 and molecular weight 419.13 g/mol. IUPAC: 7-benzyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of BAS 00340059
Property Insights of BAS 00340059
The XLogP value of 1.8258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00340059. The TPSA of 140.21 Ų indicates high polarity, suggesting BAS 00340059 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00340059 has 2 hydrogen bond donor(s) and 7 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 BAS 00340059?
The CAS number of BAS 00340059 is 331235-44-0.
What is the molecular formula of BAS 00340059?
The molecular formula of BAS 00340059 is C20H17N7O4.
What is the molecular weight of BAS 00340059?
The molecular weight of BAS 00340059 is 419.13 g/mol.
Where can I buy BAS 00340059?
You can request a quote for BAS 00340059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00340059?
Yes, KEHONG BIO provides custom synthesis services for BAS 00340059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.