Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)-
TL;DR: Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)- (CAS 98874-86-3) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,6R,8S)-8-chloro-3,6-dimethylbicyclo[4.2.0]oct-2-en-7-one
Also Known As: Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)-, (1S,6R,8S)-8-chloro-3,6-dimethylbicyclo[4.2.0]oct-2-en-7-one, (1R,6R,7S)-7-chloro-1,4-dimethyl-bicyclo[4.2.0]oct-4-en-8-one
| Molecular Formula | C10H13ClO |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.06549 |
| Heavy Atoms | 12 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 98874-86-3 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@@H](C(=O)[C@@]2(CC1)C)Cl |
| InChIKey | BDYGFYNEBOPENF-KHQFGBGNSA-N |
Product Overview
Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)- (CAS 98874-86-3), with molecular formula C10H13ClO and molecular weight 184.07 g/mol. IUPAC: (1S,6R,8S)-8-chloro-3,6-dimethylbicyclo[4.2.0]oct-2-en-7-one.
Chemical Property Profile of Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)-
Property Insights of Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)-. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)- 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 Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)-?
The CAS number of Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)- is 98874-86-3.
What is the molecular formula of Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)-?
The molecular formula of Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)- is C10H13ClO.
What is the molecular weight of Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)-?
The molecular weight of Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)- is 184.07 g/mol.
Where can I buy Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)-?
You can request a quote for Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.