Bohemine
TL;DR: Bohemine (CAS 189232-42-6) is a chemical compound with molecular formula C18H24N6O and molecular weight 340.20117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
Also Known As: bohemine, Bohemin, purine deriv. 1, Bohemine?, EX-A931
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H24N6O |
| Molecular Weight | 340.20117 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 87.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 340.20117 Da |
| Heavy Atoms | 25 |
| Complexity | 390.0 |
| SMILES | CC(C)N1C=NC2=C(N=C(N=C21)NCCCO)NCC3=CC=CC=C3 |
| InChIKey | OPQGFIAVPSXOBO-UHFFFAOYSA-N |
Product Description
Applications: Bohemine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bohemine (CAS 189232-42-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Bohemine is a heterocyclic building block identified by CAS number 189232-42-6 and the molecular formula C18H24N6O and a molecular weight of 340.2 g/mol. It is also known as bohemine and Bohemin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Bohemine
Property Insights of Bohemine
The XLogP value of 3.1 indicates that Bohemine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Bohemine. Following Lipinski's Rule of Five, Bohemine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bohemine?
The CAS number of Bohemine is 189232-42-6.
What is the molecular formula of Bohemine?
The molecular formula of Bohemine is C18H24N6O.
What is the molecular weight of Bohemine?
The molecular weight of Bohemine is 340.20117 g/mol.
What are the applications of Bohemine?
Bohemine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bohemine (CAS 189232-42-6) with custom...
Where can I buy Bohemine?
You can request a quote for Bohemine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bohemine?
Yes, CoreyChem provides custom synthesis services for Bohemine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.