烟曲霉文A
TL;DR: 烟曲霉文A (CAS 6879-59-0) is a chemical compound with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟曲霉文A
[(6aR,9R,10S)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl] acetate
Also Known As: Fumigaclavine A, Isofumigaclavine A, Ergolin-9-ol, 6,8-dimethyl-, acetate (ester), (8-alpha,9-beta)-
| Molecular Formula | C18H22N2O2 |
|---|---|
| Molecular Weight | 298.17 g/mol |
| LogP | 2.6894 |
| Topological Polar Surface Area | 45.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.16812 |
| Heavy Atoms | 22 |
| Complexity | 735.76245 |
Chemical Identifiers
| CAS Number | 6879-59-0 |
|---|---|
| SMILES | C[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2[C@H]1OC(=O)C)C |
Product Overview
烟曲霉文A (CAS 6879-59-0), with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol. IUPAC: [(6aR,9R,10S)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl] acetate.
Chemical Property Profile of 烟曲霉文A
Property Insights of 烟曲霉文A
The XLogP value of 2.6894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 烟曲霉文A. With a topological polar surface area (TPSA) of 45.33 Ų, 烟曲霉文A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烟曲霉文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 烟曲霉文A?
The CAS number of 烟曲霉文A is 6879-59-0.
What is the molecular formula of 烟曲霉文A?
The molecular formula of 烟曲霉文A is C18H22N2O2.
What is the molecular weight of 烟曲霉文A?
The molecular weight of 烟曲霉文A is 298.17 g/mol.
Where can I buy 烟曲霉文A?
You can request a quote for 烟曲霉文A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟曲霉文A?
Yes, KEHONG BIO provides custom synthesis services for 烟曲霉文A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.