Yohimbine oxindole
TL;DR: Yohimbine oxindole (CAS 5074-58-8) is a chemical compound with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S,5'aR,8'S,9'R,9'aS,10'aS)-8'-hydroxy-2-oxospiro[1H-indole-3,1'-3,5,5a,6,7,8,9,9a,10,10a-decahydro-2H-pyrrolo[1,2-b]isoquinoline]-9'-carboxylate
Also Known As: Yohimbine oxindole, Yohimbine Oxindole A, (1'S-(1'alpha,5'abeta,8'alpha,9'alpha,9'aalpha,10'aalpha))-Methyl 1,2,2',3',5'a,6',7',8',9',9'a,10',10'a-dodecahydro-8'-hydroxy-2-oxospiro(3H-indole-3,1'(5'H)-pyrrolo(1,2-b)isoquinoline)-9'-carboxylate, Methyl 2,17-dihydroxy-1,2-didehydro-17,18-cyclocorynoxan-16-carboxylate, Methyl(3s,5'ar,8's,9'r,9'as,10'as)-8'-hydroxy-2-oxospiro[1h-indole-3,1'-3,5,5a,6,7,8,9,9a,10,10a-decahydro-2H-pyrrolo[1,2-b]isoquinoline]-9'-carboxylate
| Molecular Formula | C21H26N2O4 |
|---|---|
| Molecular Weight | 370.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.18927 |
| Heavy Atoms | 27 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 5074-58-8 |
|---|---|
| SMILES | COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3[C@]4(CCN3C2)C5=CC=CC=C5NC4=O)O |
| InChIKey | BBKUFJBVLNBUIG-RENMCCNSSA-N |
Product Overview
Yohimbine oxindole (CAS 5074-58-8), with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol. IUPAC: methyl (3S,5'aR,8'S,9'R,9'aS,10'aS)-8'-hydroxy-2-oxospiro[1H-indole-3,1'-3,5,5a,6,7,8,9,9a,10,10a-decahydro-2H-pyrrolo[1,2-b]isoquinoline]-9'-carboxylate.
Chemical Property Profile of Yohimbine oxindole
Property Insights of Yohimbine oxindole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Yohimbine oxindole. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Yohimbine oxindole. Following Lipinski's Rule of Five, Yohimbine oxindole has 2 hydrogen bond donor(s) and 5 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 Yohimbine oxindole?
The CAS number of Yohimbine oxindole is 5074-58-8.
What is the molecular formula of Yohimbine oxindole?
The molecular formula of Yohimbine oxindole is C21H26N2O4.
What is the molecular weight of Yohimbine oxindole?
The molecular weight of Yohimbine oxindole is 370.19 g/mol.
Where can I buy Yohimbine oxindole?
You can request a quote for Yohimbine oxindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yohimbine oxindole?
Yes, KEHONG BIO provides custom synthesis services for Yohimbine oxindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.