Bohemine
TL;DR: Bohemine (CAS 189232-42-6) is a chemical compound with molecular formula C18H24N6O and molecular weight 340.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
Also Known As: bohemine, Bohemin, purine deriv. 1, Bohemine?, 3-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)propan-1-ol
| Molecular Formula | C18H24N6O |
|---|---|
| Molecular Weight | 340.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 340.20117 |
| Heavy Atoms | 25 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 189232-42-6 |
|---|---|
| SMILES | CC(C)N1C=NC2=C(N=C(N=C21)NCCCO)NCC3=CC=CC=C3 |
| InChIKey | OPQGFIAVPSXOBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bohemine (CAS 189232-42-6), with molecular formula C18H24N6O and molecular weight 340.20 g/mol. IUPAC: 3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol.
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
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 340.20 g/mol.
Where can I buy Bohemine?
You can request a quote for Bohemine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bohemine?
Yes, KEHONG BIO provides custom synthesis services for Bohemine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.