Yohimbine pseudoindoxyl
TL;DR: Yohimbine pseudoindoxyl (CAS 6872-98-6) 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 8'-hydroxy-3-oxospiro[1H-indole-2,1'-3,5,5a,6,7,8,9,9a,10,10a-decahydro-2H-pyrrolo[1,2-b]isoquinoline]-9'-carboxylate
Also Known As: Yohimbine pseudoindoxyl, beta-Yohimbine-pseudoindoxyl, Methyl 1,2',3,3',5'a,6,7',8',9',9'a,10',10'a-dodecahydro-8'-hydroxy-3-oxospiro(2H-indole-2,1'(5'H)-pyrrolo(1,2-b)isoquinoline)-9'-carboxylate (5'aR-(5'aalpha,8'beta,9'beta,9'abeta,10'abeta))-, Methyl8'-hydroxy-3-oxospiro[1h-indole-2,1'-3,5,5a,6,7,8,9,9a,10,10a-decahydro-2H-pyrrolo[1,2-b]isoquinoline]-9'-carboxylate, Methyl 8'-hydroxy-3-oxo-1,2',3,3',5'a,6',7',8',9',9'a,10',10'a-dodecahydro-5'H-spiro[indole-2,1'-pyrrolo[1,2-b]isoquinoline]-9'-carboxylate
| Molecular Formula | C21H26N2O4 |
|---|---|
| Molecular Weight | 370.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.18927 |
| Heavy Atoms | 27 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 6872-98-6 |
|---|---|
| SMILES | COC(=O)C1C(CCC2C1CC3C4(CCN3C2)C(=O)C5=CC=CC=C5N4)O |
| InChIKey | NBAZMEJNJWJAPL-UHFFFAOYSA-N |
Product Overview
Yohimbine pseudoindoxyl (CAS 6872-98-6), with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol. IUPAC: methyl 8'-hydroxy-3-oxospiro[1H-indole-2,1'-3,5,5a,6,7,8,9,9a,10,10a-decahydro-2H-pyrrolo[1,2-b]isoquinoline]-9'-carboxylate.
Chemical Property Profile of Yohimbine pseudoindoxyl
Property Insights of Yohimbine pseudoindoxyl
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Yohimbine pseudoindoxyl. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Yohimbine pseudoindoxyl. Following Lipinski's Rule of Five, Yohimbine pseudoindoxyl has 2 hydrogen bond donor(s) and 6 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 pseudoindoxyl?
The CAS number of Yohimbine pseudoindoxyl is 6872-98-6.
What is the molecular formula of Yohimbine pseudoindoxyl?
The molecular formula of Yohimbine pseudoindoxyl is C21H26N2O4.
What is the molecular weight of Yohimbine pseudoindoxyl?
The molecular weight of Yohimbine pseudoindoxyl is 370.19 g/mol.
Where can I buy Yohimbine pseudoindoxyl?
You can request a quote for Yohimbine pseudoindoxyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yohimbine pseudoindoxyl?
Yes, KEHONG BIO provides custom synthesis services for Yohimbine pseudoindoxyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.