Theophylline-7-acetic acid ester of d,l-trans-sobrerol
TL;DR: Theophylline-7-acetic acid ester of d,l-trans-sobrerol (CAS 101691-39-8) is a chemical compound with molecular formula C19H26N4O5 and molecular weight 390.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5S)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Also Known As: Theophylline-7-acetic acid ester of d,l-trans-sobrerol, 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, 5-(1-hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-yl ester, trans-(+-)-, (1R,5S)-5-(2-Hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate, [(1R,5S)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate, RefChem:311441
| Molecular Formula | C19H26N4O5 |
|---|---|
| Molecular Weight | 390.19 g/mol |
| LogP | 0.4727 |
| Topological Polar Surface Area | 108.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.1903 |
| Heavy Atoms | 28 |
| Complexity | 1066.8953 |
Chemical Identifiers
| CAS Number | 101691-39-8 |
|---|---|
| SMILES | CC1=CC[C@@H](C[C@H]1OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)O |
Product Overview
Theophylline-7-acetic acid ester of d,l-trans-sobrerol (CAS 101691-39-8), with molecular formula C19H26N4O5 and molecular weight 390.19 g/mol. IUPAC: [(1R,5S)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate.
Chemical Property Profile of Theophylline-7-acetic acid ester of d,l-trans-sobrerol
Property Insights of Theophylline-7-acetic acid ester of d,l-trans-sobrerol
The XLogP value of 0.4727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline-7-acetic acid ester of d,l-trans-sobrerol. The TPSA of 108.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline-7-acetic acid ester of d,l-trans-sobrerol. Following Lipinski's Rule of Five, Theophylline-7-acetic acid ester of d,l-trans-sobrerol has 1 hydrogen bond donor(s) and 6 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 Theophylline-7-acetic acid ester of d,l-trans-sobrerol?
The CAS number of Theophylline-7-acetic acid ester of d,l-trans-sobrerol is 101691-39-8.
What is the molecular formula of Theophylline-7-acetic acid ester of d,l-trans-sobrerol?
The molecular formula of Theophylline-7-acetic acid ester of d,l-trans-sobrerol is C19H26N4O5.
What is the molecular weight of Theophylline-7-acetic acid ester of d,l-trans-sobrerol?
The molecular weight of Theophylline-7-acetic acid ester of d,l-trans-sobrerol is 390.19 g/mol.
Where can I buy Theophylline-7-acetic acid ester of d,l-trans-sobrerol?
You can request a quote for Theophylline-7-acetic acid ester of d,l-trans-sobrerol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline-7-acetic acid ester of d,l-trans-sobrerol?
Yes, KEHONG BIO provides custom synthesis services for Theophylline-7-acetic acid ester of d,l-trans-sobrerol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.