1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl-
TL;DR: 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl- (CAS 24314-25-8) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,11-dione
Also Known As: methyl[?]dione, 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl-, KST-1B2112, 1-Methyl-2,3-benzo-6-oxabicyclo-octan-4,7-dion, 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl
| Molecular Formula | C12H10O3 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.06299 |
| Heavy Atoms | 15 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 24314-25-8 |
|---|---|
| SMILES | CC12CC(C(=O)C3=CC=CC=C31)OC2=O |
| InChIKey | QJDHCAYAUUBAOV-UHFFFAOYSA-N |
Product Overview
1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl- (CAS 24314-25-8), with molecular formula C12H10O3 and molecular weight 202.06 g/mol. IUPAC: 1-methyl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8,11-dione.
Chemical Property Profile of 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl-
Property Insights of 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl-. With a topological polar surface area (TPSA) of 43.4 Ų, 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl- 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 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl-?
The CAS number of 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl- is 24314-25-8.
What is the molecular formula of 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl-?
The molecular formula of 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl- is C12H10O3.
What is the molecular weight of 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl-?
The molecular weight of 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl- is 202.06 g/mol.
Where can I buy 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl-?
You can request a quote for 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Methano-3-benzoxepin-2,5(1H,4H)-dione, 1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.