Raubasine hydrochloride
TL;DR: Raubasine hydrochloride (CAS 5428-97-7) is a chemical compound with molecular formula C21H25ClN2O3 and molecular weight 388.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;hydrochloride
Also Known As: Ajmalicine hydrochloride, RAUBASINE HYDROCHLORIDE, raubasine HCl, Ajmalicine HCL, Ajmalicine
| Molecular Formula | C21H25ClN2O3 |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 3.6006 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.15536 |
| Heavy Atoms | 27 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 5428-97-7 |
|---|---|
| SMILES | C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45.Cl |
| InChIKey | YWPZOTNKHMBWPD-QAWKRFFXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Raubasine hydrochloride (CAS 5428-97-7), with molecular formula C21H25ClN2O3 and molecular weight 388.16 g/mol. IUPAC: methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;hydrochloride.
Chemical Property Profile of Raubasine hydrochloride
Property Insights of Raubasine hydrochloride
The XLogP value of 3.6006 indicates that Raubasine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, Raubasine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Raubasine hydrochloride has 2 hydrogen bond donor(s) and 4 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 Raubasine hydrochloride?
The CAS number of Raubasine hydrochloride is 5428-97-7.
What is the molecular formula of Raubasine hydrochloride?
The molecular formula of Raubasine hydrochloride is C21H25ClN2O3.
What is the molecular weight of Raubasine hydrochloride?
The molecular weight of Raubasine hydrochloride is 388.16 g/mol.
Where can I buy Raubasine hydrochloride?
You can request a quote for Raubasine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Raubasine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Raubasine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.