Fructigenine A
TL;DR: Fructigenine A (CAS 128790-83-0) is a chemical compound with molecular formula C27H29N3O3 and molecular weight 443.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,9R)-16-acetyl-4-benzyl-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Also Known As: Fructigenine A, Puberulin, Methyl 2-cadara, KST-1A0992, NCI60_012315
| Molecular Formula | C27H29N3O3 |
|---|---|
| Molecular Weight | 443.22 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.2209 |
| Heavy Atoms | 33 |
| Complexity | 848.0 |
Chemical Identifiers
| CAS Number | 128790-83-0 |
|---|---|
| SMILES | CC(=O)N1[C@@H]2[C@@](CC3N2C(=O)[C@@H](NC3=O)CC4=CC=CC=C4)(C5=CC=CC=C51)C(C)(C)C=C |
| InChIKey | UHFSGFDEMVYYRX-ZXVJBGIBSA-N |
Product Overview
Fructigenine A (CAS 128790-83-0), with molecular formula C27H29N3O3 and molecular weight 443.22 g/mol. IUPAC: (1R,4S,9R)-16-acetyl-4-benzyl-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione.
Chemical Property Profile of Fructigenine A
Property Insights of Fructigenine A
The XLogP value of 4.1 indicates that Fructigenine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Fructigenine A. Following Lipinski's Rule of Five, Fructigenine A has 1 hydrogen bond donor(s) and 3 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 Fructigenine A?
The CAS number of Fructigenine A is 128790-83-0.
What is the molecular formula of Fructigenine A?
The molecular formula of Fructigenine A is C27H29N3O3.
What is the molecular weight of Fructigenine A?
The molecular weight of Fructigenine A is 443.22 g/mol.
Where can I buy Fructigenine A?
You can request a quote for Fructigenine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fructigenine A?
Yes, KEHONG BIO provides custom synthesis services for Fructigenine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.