Nimbinic acid
TL;DR: Nimbinic acid (CAS 5866-30-8) is a chemical compound with molecular formula C27H32O8 and molecular weight 484.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[13-(furan-3-yl)-2-hydroxy-4-methoxycarbonyl-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-dien-9-yl]acetic acid
Also Known As: NIMBINIC ACID, NCI60_042038, 2-(3-furyl-hydroxy-methoxycarbonyl-tetramethyl-oxo-[?]yl)acetic acid, 2-[13-(Furan-3-yl)-2-hydroxy-4-methoxycarbonyl-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-dien-9-yl]acetic acid, (2R,3aR,4aS,5R,5aR,6R,9aR,10R,10aR)-2-(3-Furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5-hydroxy-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-2H-cyclopenta[b]naphtho[2,3-d]furan-10-acetic Acid
| Molecular Formula | C27H32O8 |
|---|---|
| Molecular Weight | 484.21 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.20972 |
| Heavy Atoms | 35 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 5866-30-8 |
|---|---|
| SMILES | CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C(C4O)C(C=CC5=O)(C)C(=O)OC)C)CC(=O)O)C |
| InChIKey | KGOYBAJIWVVEJU-UHFFFAOYSA-N |
Product Overview
Nimbinic acid (CAS 5866-30-8), with molecular formula C27H32O8 and molecular weight 484.21 g/mol. IUPAC: 2-[13-(furan-3-yl)-2-hydroxy-4-methoxycarbonyl-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-dien-9-yl]acetic acid.
Chemical Property Profile of Nimbinic acid
Property Insights of Nimbinic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nimbinic acid. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nimbinic acid. Following Lipinski's Rule of Five, Nimbinic acid has 2 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 Nimbinic acid?
The CAS number of Nimbinic acid is 5866-30-8.
What is the molecular formula of Nimbinic acid?
The molecular formula of Nimbinic acid is C27H32O8.
What is the molecular weight of Nimbinic acid?
The molecular weight of Nimbinic acid is 484.21 g/mol.
Where can I buy Nimbinic acid?
You can request a quote for Nimbinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nimbinic acid?
Yes, KEHONG BIO provides custom synthesis services for Nimbinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.