Chloronectrin
TL;DR: Chloronectrin (CAS 38965-84-3) is a chemical compound with molecular formula C25H33ClO6 and molecular weight 464.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl] acetate
Also Known As: CHLORONECTRIN, [(E)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl] acetate, (3E)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl acetate, 3-[(E)-4-Acetoxy-5-(1,2,6-trimethyl-3-oxocyclohexyl)-3-methyl-2-pentenyl]-5-chloro-2,4-dihydroxy-6-methylbenzaldehyde
| Molecular Formula | C25H33ClO6 |
|---|---|
| Molecular Weight | 464.20 g/mol |
| LogP | 5.32412 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.19656 |
| Heavy Atoms | 32 |
| Complexity | 950.4859 |
Chemical Identifiers
| CAS Number | 38965-84-3 |
|---|---|
| SMILES | CC1CCC(=O)C(C1(C)CC(/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)OC(=O)C)C |
Product Overview
Chloronectrin (CAS 38965-84-3), with molecular formula C25H33ClO6 and molecular weight 464.20 g/mol. IUPAC: [(E)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl] acetate.
Chemical Property Profile of Chloronectrin
Property Insights of Chloronectrin
The XLogP value of 5.32412 indicates that Chloronectrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Chloronectrin. Following Lipinski's Rule of Five, Chloronectrin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chloronectrin?
The CAS number of Chloronectrin is 38965-84-3.
What is the molecular formula of Chloronectrin?
The molecular formula of Chloronectrin is C25H33ClO6.
What is the molecular weight of Chloronectrin?
The molecular weight of Chloronectrin is 464.20 g/mol.
Where can I buy Chloronectrin?
You can request a quote for Chloronectrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloronectrin?
Yes, KEHONG BIO provides custom synthesis services for Chloronectrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.