![(3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one structure](/static/products/858/85827-98-1.png)
(3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one
TL;DR: (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one (CAS 85827-98-1) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,12R,13S,17S)-15,18-dioxapentacyclo[10.5.1.02,11.04,9.013,17]octadeca-2,4,6,8,10-pentaen-14-one
Also Known As: (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one, (1S,12R,13S,17S)-15,18-dioxapentacyclo[10.5.1.02,11.04,9.013,17]octadeca-2,4,6,8,10-pentaen-14-one
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 85827-98-1 |
|---|---|
| SMILES | C1[C@@H]2[C@@H]([C@@H]3C4=CC5=CC=CC=C5C=C4[C@H]2O3)C(=O)O1 |
| InChIKey | IOJCVDMNEAVTIQ-BARDWOONSA-N |
Product Overview
(3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one (CAS 85827-98-1), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: (1S,12R,13S,17S)-15,18-dioxapentacyclo[10.5.1.02,11.04,9.013,17]octadeca-2,4,6,8,10-pentaen-14-one.
Chemical Property Profile of (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one
Property Insights of (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one. With a topological polar surface area (TPSA) of 35.5 Ų, (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one 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 (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one?
The CAS number of (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one is 85827-98-1.
What is the molecular formula of (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one?
The molecular formula of (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one is C16H12O3.
What is the molecular weight of (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one?
The molecular weight of (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one is 252.08 g/mol.
Where can I buy (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one?
You can request a quote for (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (3aS,4S,11R,11aS)-3a,4,11,11a-Tetrahydro-4,11-epoxyanthra[2,3-c]furan-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.