Rauwolscine phosphate
TL;DR: Rauwolscine phosphate (CAS 28834-05-1) is a chemical compound with molecular formula C21H29N2O7P and molecular weight 452.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Rauwolscine phosphate
methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;phosphoric acid
Also Known As: Rauwolscine phosphate, 20-alpha-Yohimban-16-beta-carboxylic acid, 17-alpha-hydroxy-, methyl ester, phosphate (salt), Phosphoric acid--methyl 17-hydroxyyohimban-16-carboxylate (1/1), Phosphoric acid--methyl 17alpha-hydroxy-20alpha-yohimban-16beta-carboxylate (1/1), RefChem:1097961
| Molecular Formula | C21H29N2O7P |
|---|---|
| Molecular Weight | 452.17 g/mol |
| LogP | 1.7185 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.17123 |
| Heavy Atoms | 31 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 28834-05-1 |
|---|---|
| SMILES | COC(=O)[C@@H]1[C@H](CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O.OP(=O)(O)O |
| InChIKey | BWQXQSYQMSSRJL-ZKKXXTDSSA-N |
Product Overview
Rauwolscine phosphate (CAS 28834-05-1), with molecular formula C21H29N2O7P and molecular weight 452.17 g/mol. IUPAC: methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;phosphoric acid.
Chemical Property Profile of Rauwolscine phosphate
Property Insights of Rauwolscine phosphate
The XLogP value of 1.7185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rauwolscine phosphate. The TPSA of 143.0 Ų indicates high polarity, suggesting Rauwolscine phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rauwolscine phosphate has 5 hydrogen bond donor(s) and 8 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 Rauwolscine phosphate?
The CAS number of Rauwolscine phosphate is 28834-05-1.
What is the molecular formula of Rauwolscine phosphate?
The molecular formula of Rauwolscine phosphate is C21H29N2O7P.
What is the molecular weight of Rauwolscine phosphate?
The molecular weight of Rauwolscine phosphate is 452.17 g/mol.
Where can I buy Rauwolscine phosphate?
You can request a quote for Rauwolscine phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rauwolscine phosphate?
Yes, KEHONG BIO provides custom synthesis services for Rauwolscine phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.