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7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one
TL;DR: 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one (CAS 202264-45-7) is a chemical compound with molecular formula C11H10O and molecular weight 158.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2a,7,7a-tetrahydrocyclobuta[a]inden-2-one
Also Known As: 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one, 1H,2H,2aH,7H,7aH-cyclobuta[a]inden-2-one, 1,2a,7,7a-tetrahydrocyclobuta[a]inden-2-one, 1H,2H,2aH,3H,7bH-cyclobuta[a]inden-1-one, J3.098.835C
| Molecular Formula | C11H10O |
|---|---|
| Molecular Weight | 158.07 g/mol |
| LogP | 1.9153 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.07317 |
| Heavy Atoms | 12 |
| Complexity | 353.77667 |
Chemical Identifiers
| CAS Number | 202264-45-7 |
|---|---|
| SMILES | C1C2CC(=O)C2C3=CC=CC=C31 |
Product Overview
7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one (CAS 202264-45-7), with molecular formula C11H10O and molecular weight 158.07 g/mol. IUPAC: 1,2a,7,7a-tetrahydrocyclobuta[a]inden-2-one.
Chemical Property Profile of 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one
Property Insights of 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one
The XLogP value of 1.9153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one. With a topological polar surface area (TPSA) of 17.07 Ų, 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one has 0 hydrogen bond donor(s) and 1 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 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one?
The CAS number of 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one is 202264-45-7.
What is the molecular formula of 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one?
The molecular formula of 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one is C11H10O.
What is the molecular weight of 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one?
The molecular weight of 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one is 158.07 g/mol.
Where can I buy 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one?
You can request a quote for 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one?
Yes, KEHONG BIO provides custom synthesis services for 7,7A-dihydro-1H-cyclobuta[a]inden-2(2aH)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.