Gmelofuran
TL;DR: Gmelofuran (CAS 70863-78-4) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8R,10S)-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-diene-5,11-dione
Also Known As: Gmelofuran, Hibiscone C, 3H-Naphtho(1,8-bc)furan-3,8(4H)-dione, 5,5a,6,7-tetrahydro-7-methyl-5-(1-methylethyl)-, (5R,5aR,7S)-, (5R)-5,5aalpha,6,7-Tetrahydro-7alpha-methyl-5alpha-isopropyl-3H-naphtho[1,8-bc]furan-3,8(4H)-dione, (5R,5aR,7S)-7-Methyl-5-(propan-2-yl)-5,5a,6,7-tetrahydro-3H-naphtho[1,8-bc]furan-3,8(4H)-dione
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 70863-78-4 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H](CC(=O)C3=COC(=C23)C1=O)C(C)C |
| InChIKey | ITOFWMRNIIFZKF-IVZWLZJFSA-N |
Product Overview
Gmelofuran (CAS 70863-78-4), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: (7R,8R,10S)-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-diene-5,11-dione.
Chemical Property Profile of Gmelofuran
Property Insights of Gmelofuran
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gmelofuran. With a topological polar surface area (TPSA) of 47.3 Ų, Gmelofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gmelofuran has 0 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 Gmelofuran?
The CAS number of Gmelofuran is 70863-78-4.
What is the molecular formula of Gmelofuran?
The molecular formula of Gmelofuran is C15H18O3.
What is the molecular weight of Gmelofuran?
The molecular weight of Gmelofuran is 246.13 g/mol.
Where can I buy Gmelofuran?
You can request a quote for Gmelofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gmelofuran?
Yes, KEHONG BIO provides custom synthesis services for Gmelofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.