7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline
TL;DR: 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline (CAS 107838-98-2) is a chemical compound with molecular formula C19H26N4O6 and molecular weight 406.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2S,6S)-2-(6-hydroxyhexoxymethyl)-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione
Also Known As: Dhp-TH, 2,4-Dichlorphenylglyoxylonitril, 7-(3,4-Dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline, 9-[(2S,6S)-2-(6-hydroxyhexoxymethyl)-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione, 9-(3,6-Dihydro-6-(((6-hydroxyhexyl)oxy)methyl)-3-oxo-2H-pyran-2-yl)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione (2R-cis)-
| Molecular Formula | C19H26N4O6 |
|---|---|
| Molecular Weight | 406.19 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.18524 |
| Heavy Atoms | 29 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 107838-98-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N=CN2[C@@H]3C(=O)C=C[C@H](O3)COCCCCCCO |
| InChIKey | FHOFJRKDXZHSEO-UGSOOPFHSA-N |
Product Overview
7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline (CAS 107838-98-2), with molecular formula C19H26N4O6 and molecular weight 406.19 g/mol. IUPAC: 9-[(2S,6S)-2-(6-hydroxyhexoxymethyl)-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline
Property Insights of 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline. Following Lipinski's Rule of Five, 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline has 1 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 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline?
The CAS number of 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline is 107838-98-2.
What is the molecular formula of 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline?
The molecular formula of 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline is C19H26N4O6.
What is the molecular weight of 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline?
The molecular weight of 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline is 406.19 g/mol.
Where can I buy 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline?
You can request a quote for 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(3,4-dideoxy-6-O-(6-hydroxyhexyl)hex-3-enopyranosyl-2-ulose)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.