BAS 00288354
TL;DR: BAS 00288354 (CAS 300588-86-7) is a chemical compound with molecular formula C18H21N7O4 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-pentylpurine-2,6-dione
Also Known As: BAS 00288354, 3-nitrobenzaldehyde (3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone, 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-pentylpurine-2,6-dione, (E)-3-methyl-8-(2-(3-nitrobenzylidene)hydrazinyl)-7-pentyl-1H-purine-2,6(3H,7H)-dione, 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazin-1-yl]-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H21N7O4 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 1.9677 |
| Topological Polar Surface Area | 140.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.1655 |
| Heavy Atoms | 29 |
| Complexity | 1189.1183 |
Chemical Identifiers
| CAS Number | 300588-86-7 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C |
Product Overview
BAS 00288354 (CAS 300588-86-7), with molecular formula C18H21N7O4 and molecular weight 399.17 g/mol. IUPAC: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-pentylpurine-2,6-dione.
Chemical Property Profile of BAS 00288354
Property Insights of BAS 00288354
The XLogP value of 1.9677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00288354. The TPSA of 140.21 Ų indicates high polarity, suggesting BAS 00288354 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00288354 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 00288354?
The CAS number of BAS 00288354 is 300588-86-7.
What is the molecular formula of BAS 00288354?
The molecular formula of BAS 00288354 is C18H21N7O4.
What is the molecular weight of BAS 00288354?
The molecular weight of BAS 00288354 is 399.17 g/mol.
Where can I buy BAS 00288354?
You can request a quote for BAS 00288354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288354?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.