1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))-
TL;DR: 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))- (CAS 98874-89-6) is a chemical compound with molecular formula C14H13ClO and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,2aS,7aR)-2-chloro-7-propan-2-ylidene-2a,7a-dihydro-2H-cyclobuta[a]inden-1-one
Also Known As: 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))-, (2R,2aS,7aR)-2-chloro-7-propan-2-ylidene-2a,7a-dihydro-2H-cyclobuta[a]inden-1-one, 2-Chloro-7-(propan-2-ylidene)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-one, (2R,2aS,7aR)-2-chloro-7-(propan-2-ylidene)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-one
| Molecular Formula | C14H13ClO |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.06549 |
| Heavy Atoms | 16 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 98874-89-6 |
|---|---|
| SMILES | CC(=C1[C@H]2[C@H]([C@H](C2=O)Cl)C3=CC=CC=C31)C |
| InChIKey | DLZLRVIUGRGLHX-FRRDWIJNSA-N |
Product Overview
1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))- (CAS 98874-89-6), with molecular formula C14H13ClO and molecular weight 232.07 g/mol. IUPAC: (2R,2aS,7aR)-2-chloro-7-propan-2-ylidene-2a,7a-dihydro-2H-cyclobuta[a]inden-1-one.
Chemical Property Profile of 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))-
Property Insights of 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))-
The XLogP value of 3.2 indicates that 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))- 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-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))- 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-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))-?
The CAS number of 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))- is 98874-89-6.
What is the molecular formula of 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))-?
The molecular formula of 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))- is C14H13ClO.
What is the molecular weight of 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))-?
The molecular weight of 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))- is 232.07 g/mol.
Where can I buy 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))-?
You can request a quote for 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))- 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-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Cyclobut(a)inden-1-one, 2-chloro-2,2a,7,7a-tetrahydro-7-(1-methylethylidene)-, (2R-(2alpha,2abeta,7abeta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.