![12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione structure](/static/products/3657/3657-08-7.webp)
12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione
TL;DR: 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione (CAS 3657-08-7) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione
Also Known As: NCIOpen2_006975, KST-1A9338, RCL T169781, 1,4,5,8-tetrahydro-4a,8a-(methanooxymethano)naphthalene-9,11-dione, 1,4,5,8-Tetrahydro-4a,8a-naphthalindicarbonsaeureanhydrid
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 3657-08-7 |
|---|---|
| SMILES | C1C=CCC23C1(CC=CC2)C(=O)OC3=O |
| InChIKey | AVUXPNMUBVSYQO-UHFFFAOYSA-N |
Product Overview
12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione (CAS 3657-08-7), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 12-oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione.
Chemical Property Profile of 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione
Property Insights of 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione 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 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione?
The CAS number of 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione is 3657-08-7.
What is the molecular formula of 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione?
The molecular formula of 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione is C12H12O3.
What is the molecular weight of 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione?
The molecular weight of 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione is 204.08 g/mol.
Where can I buy 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione?
You can request a quote for 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione?
Yes, KEHONG BIO provides custom synthesis services for 12-Oxatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.