6-Desacetylnimbin
TL;DR: 6-Desacetylnimbin (CAS 18609-16-0) is a chemical compound with molecular formula C28H34O8 and molecular weight 498.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 13-(furan-3-yl)-2-hydroxy-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: Deacetylnimbin, Desacetylnimbin, 6-Desacetylnimbin, 6-Deacetylnimbin, Nimbic acid, dimethyl ester
| Molecular Formula | C28H34O8 |
|---|---|
| Molecular Weight | 498.23 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.22537 |
| Heavy Atoms | 36 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 18609-16-0 |
|---|---|
| SMILES | CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C(C4O)C(C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C |
| InChIKey | CTBHKOAPXBDFPX-UHFFFAOYSA-N |
Product Overview
6-Desacetylnimbin (CAS 18609-16-0), with molecular formula C28H34O8 and molecular weight 498.23 g/mol. IUPAC: methyl 13-(furan-3-yl)-2-hydroxy-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 6-Desacetylnimbin
Property Insights of 6-Desacetylnimbin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Desacetylnimbin. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Desacetylnimbin. Following Lipinski's Rule of Five, 6-Desacetylnimbin has 1 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 6-Desacetylnimbin?
The CAS number of 6-Desacetylnimbin is 18609-16-0.
What is the molecular formula of 6-Desacetylnimbin?
The molecular formula of 6-Desacetylnimbin is C28H34O8.
What is the molecular weight of 6-Desacetylnimbin?
The molecular weight of 6-Desacetylnimbin is 498.23 g/mol.
Where can I buy 6-Desacetylnimbin?
You can request a quote for 6-Desacetylnimbin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Desacetylnimbin?
Yes, KEHONG BIO provides custom synthesis services for 6-Desacetylnimbin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.