Plocamadiene A
TL;DR: Plocamadiene A (CAS 66321-25-3) is a chemical compound with molecular formula C10H13BrCl2 and molecular weight 281.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4R)-2-bromo-1-chloro-4-[(E)-2-chloroethenyl]-1-methyl-5-methylidenecyclohexane
Also Known As: Plocamadiene A, (1R,2R,4R)-2-bromo-1-chloro-4-[(E)-2-chloroethenyl]-1-methyl-5-methylidenecyclohexane, Cyclohexane, 2-bromo-1-chloro-4-(2-chloroethenyl)-1-methyl-5-methylene-, (1R-(1alpha,2alpha,4alpha(E)))-
| Molecular Formula | C10H13BrCl2 |
|---|---|
| Molecular Weight | 281.96 g/mol |
| LogP | 4.4661 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.95776 |
| Heavy Atoms | 13 |
| Complexity | 233.07924 |
Chemical Identifiers
| CAS Number | 66321-25-3 |
|---|---|
| SMILES | C[C@]1(CC(=C)[C@H](C[C@H]1Br)/C=C/Cl)Cl |
Product Overview
Plocamadiene A (CAS 66321-25-3), with molecular formula C10H13BrCl2 and molecular weight 281.96 g/mol. IUPAC: (1R,2R,4R)-2-bromo-1-chloro-4-[(E)-2-chloroethenyl]-1-methyl-5-methylidenecyclohexane.
Chemical Property Profile of Plocamadiene A
Property Insights of Plocamadiene A
The XLogP value of 4.4661 indicates that Plocamadiene A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Plocamadiene A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Plocamadiene A has 0 hydrogen bond donor(s) and 0 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 Plocamadiene A?
The CAS number of Plocamadiene A is 66321-25-3.
What is the molecular formula of Plocamadiene A?
The molecular formula of Plocamadiene A is C10H13BrCl2.
What is the molecular weight of Plocamadiene A?
The molecular weight of Plocamadiene A is 281.96 g/mol.
Where can I buy Plocamadiene A?
You can request a quote for Plocamadiene A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Plocamadiene A?
Yes, KEHONG BIO provides custom synthesis services for Plocamadiene A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.