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Rauhimbine structure
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Rauhimbine

TL;DR: Rauhimbine (CAS 123333-62-0) is a chemical compound with molecular formula C21H27ClN2O3 and molecular weight 390.17102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride

Also Known As: Rauhimbine, Corynanthine hydrochloride, Antagonil, TRIISOBUTYLAMINE, Chlorhydrate de corynanthine

CAS Number
123333-62-0
Molecular Formula
C21H27ClN2O3
Molecular Weight
390.17102 g/mol
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Technical Specifications

Molecular FormulaC21H27ClN2O3
Molecular Weight390.17102 g/mol
XLogP3.0689
Topological Polar Surface Area (TPSA)65.6 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors4
Rotatable Bonds2
Exact Mass390.17102 Da
Heavy Atoms27
Complexity555.0
SMILESCOC(=O)[C@@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl
InChIKeyPIPZGJSEDRMUAW-VYDVLXQVSA-N

Chemical Property Profile of Rauhimbine

XLogP
3.0689
TPSA (Topological Polar Surface Area)
65.6
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
27
Complexity
555.0
Exact Mass
390.17102
Monoisotopic Mass
390.17102
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Rauhimbine

The XLogP value of 3.0689 indicates that Rauhimbine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Rauhimbine. Following Lipinski's Rule of Five, Rauhimbine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Rauhimbine?

The CAS number of Rauhimbine is 123333-62-0.

What is the molecular formula of Rauhimbine?

The molecular formula of Rauhimbine is C21H27ClN2O3.

What is the molecular weight of Rauhimbine?

The molecular weight of Rauhimbine is 390.17102 g/mol.

Where can I buy Rauhimbine?

You can request a quote for Rauhimbine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Rauhimbine?

Yes, CoreyChem provides custom synthesis services for Rauhimbine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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