Demethoxy-3-epifumitremorgin C
TL;DR: Demethoxy-3-epifumitremorgin C (CAS 116508-58-8) is a chemical compound with molecular formula C21H23N3O2 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,12R,15S)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione
Also Known As: Demethoxy-3-epifumitremorgin C, 6-demethoxyfumitremorgin C, (5as,12r,14as)-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5h,14h-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione, 5H,14H-Pyrrolo(1'',2'':4',5')pyrazino(1',2':1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-12-(2-methyl-1-propenyl)-, (5aS-(5aalpha,12alpha,14aalpha))-, (1S,12R,15S)-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione
| Molecular Formula | C21H23N3O2 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.17902 |
| Heavy Atoms | 26 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 116508-58-8 |
|---|---|
| SMILES | CC(=C[C@@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=CC=CC=C5N2)C |
| InChIKey | LQXCSIKDOISJTI-KSZLIROESA-N |
Product Overview
Demethoxy-3-epifumitremorgin C (CAS 116508-58-8), with molecular formula C21H23N3O2 and molecular weight 349.18 g/mol. IUPAC: (1S,12R,15S)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione.
Chemical Property Profile of Demethoxy-3-epifumitremorgin C
Property Insights of Demethoxy-3-epifumitremorgin C
The XLogP value of 3.0 indicates that Demethoxy-3-epifumitremorgin C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.4 Ų, Demethoxy-3-epifumitremorgin C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demethoxy-3-epifumitremorgin C has 1 hydrogen bond donor(s) and 2 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 Demethoxy-3-epifumitremorgin C?
The CAS number of Demethoxy-3-epifumitremorgin C is 116508-58-8.
What is the molecular formula of Demethoxy-3-epifumitremorgin C?
The molecular formula of Demethoxy-3-epifumitremorgin C is C21H23N3O2.
What is the molecular weight of Demethoxy-3-epifumitremorgin C?
The molecular weight of Demethoxy-3-epifumitremorgin C is 349.18 g/mol.
Where can I buy Demethoxy-3-epifumitremorgin C?
You can request a quote for Demethoxy-3-epifumitremorgin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethoxy-3-epifumitremorgin C?
Yes, KEHONG BIO provides custom synthesis services for Demethoxy-3-epifumitremorgin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.