Lupanine, monohydrochloride, hydrate
TL;DR: Lupanine, monohydrochloride, hydrate (CAS 1025-39-4) is a chemical compound with molecular formula C15H25ClN2O and molecular weight 284.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;hydrochloride
Also Known As: Lupanine hydrochloride, Chlorowodorek lupaniny, Lupanine (hydrochloride), Chlorowodorek lupaniny [Polish], Lupanine, monohydrochloride, hydrate
| Molecular Formula | C15H25ClN2O |
|---|---|
| Molecular Weight | 284.17 g/mol |
| LogP | 2.29 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.16553 |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 1025-39-4 |
|---|---|
| SMILES | C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3CCCC4=O.Cl |
| InChIKey | BQPGCISNGAWUMO-YXCQRQMQSA-N |
Product Overview
Lupanine, monohydrochloride, hydrate (CAS 1025-39-4), with molecular formula C15H25ClN2O and molecular weight 284.17 g/mol. IUPAC: (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;hydrochloride.
Chemical Property Profile of Lupanine, monohydrochloride, hydrate
Property Insights of Lupanine, monohydrochloride, hydrate
The XLogP value of 2.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lupanine, monohydrochloride, hydrate. With a topological polar surface area (TPSA) of 23.6 Ų, Lupanine, monohydrochloride, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lupanine, monohydrochloride, hydrate has 1 hydrogen bond donor(s) and 2 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 Lupanine, monohydrochloride, hydrate?
The CAS number of Lupanine, monohydrochloride, hydrate is 1025-39-4.
What is the molecular formula of Lupanine, monohydrochloride, hydrate?
The molecular formula of Lupanine, monohydrochloride, hydrate is C15H25ClN2O.
What is the molecular weight of Lupanine, monohydrochloride, hydrate?
The molecular weight of Lupanine, monohydrochloride, hydrate is 284.17 g/mol.
Where can I buy Lupanine, monohydrochloride, hydrate?
You can request a quote for Lupanine, monohydrochloride, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lupanine, monohydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Lupanine, monohydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.