Fumitremorgin A
TL;DR: Fumitremorgin A (CAS 12626-18-5) is a chemical compound with molecular formula C32H41N3O7 and molecular weight 579.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
Also Known As: Fumitremorgin A, FUMITREMORGEN A, ACon1_001759, BRD-K19808008-001-01-0, (9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
| Molecular Formula | C32H41N3O7 |
|---|---|
| Molecular Weight | 579.29 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 579.29443 |
| Heavy Atoms | 42 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 12626-18-5 |
|---|---|
| SMILES | CC(=CCO[C@H]1C2=C3[C@H](CC(OO[C@@H](N3C4=C2C=CC(=C4)OC)C=C(C)C)(C)C)N5[C@@]1(C(=O)N6CCC[C@H]6C5=O)O)C |
| InChIKey | ACGHJVZDNQZJOV-BMOJZYMJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fumitremorgin A (CAS 12626-18-5), with molecular formula C32H41N3O7 and molecular weight 579.29 g/mol. IUPAC: (9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione.
Chemical Property Profile of Fumitremorgin A
Property Insights of Fumitremorgin A
The XLogP value of 3.8 indicates that Fumitremorgin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Fumitremorgin A. Following Lipinski's Rule of Five, Fumitremorgin A has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fumitremorgin A?
The CAS number of Fumitremorgin A is 12626-18-5.
What is the molecular formula of Fumitremorgin A?
The molecular formula of Fumitremorgin A is C32H41N3O7.
What is the molecular weight of Fumitremorgin A?
The molecular weight of Fumitremorgin A is 579.29 g/mol.
Where can I buy Fumitremorgin A?
You can request a quote for Fumitremorgin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumitremorgin A?
Yes, KEHONG BIO provides custom synthesis services for Fumitremorgin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.