Neobiphylline
TL;DR: Neobiphylline (CAS 87531-63-3) is a chemical compound with molecular formula C27H36N12O9 and molecular weight 672.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: Neobiphylline, Nebetol, Neo-biphyllin, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-, mixt. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione and 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C27H36N12O9 |
|---|---|
| Molecular Weight | 672.27 g/mol |
| LogP | -4.4383 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 672.2728 |
| Heavy Atoms | 48 |
| Complexity | 979.0 |
Chemical Identifiers
| CAS Number | 87531-63-3 |
|---|---|
| SMILES | CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O.CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O |
| InChIKey | RQXVCGDOACHSLR-UHFFFAOYSA-N |
Product Overview
Neobiphylline (CAS 87531-63-3), with molecular formula C27H36N12O9 and molecular weight 672.27 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Neobiphylline
Property Insights of Neobiphylline
The XLogP value of -4.4383 indicates that Neobiphylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting Neobiphylline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neobiphylline has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neobiphylline?
The CAS number of Neobiphylline is 87531-63-3.
What is the molecular formula of Neobiphylline?
The molecular formula of Neobiphylline is C27H36N12O9.
What is the molecular weight of Neobiphylline?
The molecular weight of Neobiphylline is 672.27 g/mol.
Where can I buy Neobiphylline?
You can request a quote for Neobiphylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neobiphylline?
Yes, KEHONG BIO provides custom synthesis services for Neobiphylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.