Theo-Hexanicit
TL;DR: Theo-Hexanicit (CAS 59989-20-7) is a chemical compound with molecular formula C17H29N5O4 and molecular weight 367.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-acetyl-1,3-dimethylpurine-2,6-dione;6-amino-2-methylheptan-2-ol
Also Known As: heptaminol, Corophylline, Cariamyl, Theo-Hexanicit, Theo-Heptylon
| Molecular Formula | C17H29N5O4 |
|---|---|
| Molecular Weight | 367.22 g/mol |
| LogP | 0.3686 |
| Topological Polar Surface Area | 125.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.22195 |
| Heavy Atoms | 26 |
| Complexity | 883.4061 |
Chemical Identifiers
| CAS Number | 59989-20-7 |
|---|---|
| SMILES | CC(CCCC(C)(C)O)N.CC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C |
Product Overview
Theo-Hexanicit (CAS 59989-20-7), with molecular formula C17H29N5O4 and molecular weight 367.22 g/mol. IUPAC: 7-acetyl-1,3-dimethylpurine-2,6-dione;6-amino-2-methylheptan-2-ol.
Chemical Property Profile of Theo-Hexanicit
Property Insights of Theo-Hexanicit
The XLogP value of 0.3686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theo-Hexanicit. The TPSA of 125.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Theo-Hexanicit. Following Lipinski's Rule of Five, Theo-Hexanicit has 2 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 Theo-Hexanicit?
The CAS number of Theo-Hexanicit is 59989-20-7.
What is the molecular formula of Theo-Hexanicit?
The molecular formula of Theo-Hexanicit is C17H29N5O4.
What is the molecular weight of Theo-Hexanicit?
The molecular weight of Theo-Hexanicit is 367.22 g/mol.
Where can I buy Theo-Hexanicit?
You can request a quote for Theo-Hexanicit directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theo-Hexanicit?
Yes, KEHONG BIO provides custom synthesis services for Theo-Hexanicit and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.