14-(4-Nitrobenzoyloxy)yohimbine
TL;DR: 14-(4-Nitrobenzoyloxy)yohimbine (CAS 109460-90-4) is a chemical compound with molecular formula C28H29N3O7 and molecular weight 519.20056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,15R,18S,19R,20S,21R)-18-hydroxy-21-(4-nitrobenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: 14-Nbo-yohimbine, 14-(4-Nitrobenzoyloxy)yohimbine, 14beta-(4-Nitrobenzoyloxy)yohimbine, Methyl 17-hydroxy-14-[(4-nitrobenzoyl)oxy]yohimban-16-carboxylate, Methyl 17alpha-hydroxy-14beta-[(4-nitrobenzoyl)oxy]yohimban-16alpha-carboxylate
Technical Specifications
| Molecular Formula | C28H29N3O7 |
| Molecular Weight | 519.20056 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.20056 Da |
| Heavy Atoms | 38 |
| Complexity | 919.0 |
| SMILES | COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1[C@H]([C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-])O |
| InChIKey | ZDOVTMRFXLKGQV-IZUVYGNBSA-N |
Chemical Property Profile of 14-(4-Nitrobenzoyloxy)yohimbine
Property Insights of 14-(4-Nitrobenzoyloxy)yohimbine
The XLogP value of 4.0 indicates that 14-(4-Nitrobenzoyloxy)yohimbine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-(4-Nitrobenzoyloxy)yohimbine. Following Lipinski's Rule of Five, 14-(4-Nitrobenzoyloxy)yohimbine has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 14-(4-Nitrobenzoyloxy)yohimbine?
The CAS number of 14-(4-Nitrobenzoyloxy)yohimbine is 109460-90-4.
What is the molecular formula of 14-(4-Nitrobenzoyloxy)yohimbine?
The molecular formula of 14-(4-Nitrobenzoyloxy)yohimbine is C28H29N3O7.
What is the molecular weight of 14-(4-Nitrobenzoyloxy)yohimbine?
The molecular weight of 14-(4-Nitrobenzoyloxy)yohimbine is 519.20056 g/mol.
Where can I buy 14-(4-Nitrobenzoyloxy)yohimbine?
You can request a quote for 14-(4-Nitrobenzoyloxy)yohimbine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 14-(4-Nitrobenzoyloxy)yohimbine?
Yes, CoreyChem provides custom synthesis services for 14-(4-Nitrobenzoyloxy)yohimbine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.