BAS 00363877
TL;DR: BAS 00363877 (CAS 329700-72-3) is a chemical compound with molecular formula C16H17N7O4 and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-propylpurine-2,6-dione
Also Known As: BAS 00363877, 3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-propylpurine-2,6-dione, 4-nitrobenzaldehyde (3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone, (E)-3-methyl-8-(2-(4-nitrobenzylidene)hydrazinyl)-7-propyl-1H-purine-2,6(3H,7H)-dione, 3-methyl-8-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H17N7O4 |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 1.1875 |
| Topological Polar Surface Area | 140.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.13422 |
| Heavy Atoms | 27 |
| Complexity | 1138.5156 |
Chemical Identifiers
| CAS Number | 329700-72-3 |
|---|---|
| SMILES | CCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C |
Product Overview
BAS 00363877 (CAS 329700-72-3), with molecular formula C16H17N7O4 and molecular weight 371.13 g/mol. IUPAC: 3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-propylpurine-2,6-dione.
Chemical Property Profile of BAS 00363877
Property Insights of BAS 00363877
The XLogP value of 1.1875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00363877. The TPSA of 140.21 Ų indicates high polarity, suggesting BAS 00363877 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00363877 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 00363877?
The CAS number of BAS 00363877 is 329700-72-3.
What is the molecular formula of BAS 00363877?
The molecular formula of BAS 00363877 is C16H17N7O4.
What is the molecular weight of BAS 00363877?
The molecular weight of BAS 00363877 is 371.13 g/mol.
Where can I buy BAS 00363877?
You can request a quote for BAS 00363877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00363877?
Yes, KEHONG BIO provides custom synthesis services for BAS 00363877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.