Nimbin
TL;DR: Nimbin (CAS 5945-86-8) is a chemical compound with molecular formula C30H36O9 and molecular weight 540.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Nimbin
methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-2-acetyloxy-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate
Also Known As: Nimbin, Nimbin (chemical), NIMBIN [MI], HY-N3187, 4CN-2559
| Molecular Formula | C30H36O9 |
|---|---|
| Molecular Weight | 540.24 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.23596 |
| Heavy Atoms | 39 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 5945-86-8 |
|---|---|
| SMILES | CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@H]4OC(=O)C)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C |
| InChIKey | NHOIBRJOQAYBJT-IMGVWCFESA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nimbin (CAS 5945-86-8), with molecular formula C30H36O9 and molecular weight 540.24 g/mol. IUPAC: methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-2-acetyloxy-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate.
Chemical Property Profile of Nimbin
Property Insights of Nimbin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nimbin. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nimbin. Following Lipinski's Rule of Five, Nimbin has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nimbin?
The CAS number of Nimbin is 5945-86-8.
What is the molecular formula of Nimbin?
The molecular formula of Nimbin is C30H36O9.
What is the molecular weight of Nimbin?
The molecular weight of Nimbin is 540.24 g/mol.
Where can I buy Nimbin?
You can request a quote for Nimbin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nimbin?
Yes, KEHONG BIO provides custom synthesis services for Nimbin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.