1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-
TL;DR: 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)- (CAS 98874-85-2) is a chemical compound with molecular formula C14H12Cl2O and molecular weight 266.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-7-propan-2-ylidene-2a,7a-dihydrocyclobuta[a]inden-1-one
Also Known As: 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, 2,2-dichloro-7-propan-2-ylidene-2a,7a-dihydrocyclobuta[a]inden-1-one, 2,2-Dichloro-7-(propan-2-ylidene)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-one
| Molecular Formula | C14H12Cl2O |
|---|---|
| Molecular Weight | 266.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.02652 |
| Heavy Atoms | 17 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 98874-85-2 |
|---|---|
| SMILES | CC(=C1C2C(C3=CC=CC=C31)C(C2=O)(Cl)Cl)C |
| InChIKey | QEWFVHYWPKOVHR-UHFFFAOYSA-N |
Product Overview
1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)- (CAS 98874-85-2), with molecular formula C14H12Cl2O and molecular weight 266.03 g/mol. IUPAC: 2,2-dichloro-7-propan-2-ylidene-2a,7a-dihydrocyclobuta[a]inden-1-one.
Chemical Property Profile of 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-
Property Insights of 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-
The XLogP value of 3.7 indicates that 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)- 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 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-?
The CAS number of 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)- is 98874-85-2.
What is the molecular formula of 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-?
The molecular formula of 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)- is C14H12Cl2O.
What is the molecular weight of 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-?
The molecular weight of 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)- is 266.03 g/mol.
Where can I buy 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-?
You can request a quote for 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Cyclobut(a)inden-1-one, 2,2-dichloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.