alpha-Citronellyl acetate, 6-chloro-
TL;DR: alpha-Citronellyl acetate, 6-chloro- (CAS 74514-34-4) is a chemical compound with molecular formula C12H21ClO2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-3,7-dimethyloct-7-enyl) acetate
Also Known As: .alpha.-Citronellyl acetate, 6-chloro-, 6-chloro-3,7-dimethyloct-7-en-1-yl acetate, (6-chloro-3,7-dimethyloct-7-enyl) acetate, 6-Chloro-3,7-dimethyl-7-octenyl acetate #
| Molecular Formula | C12H21ClO2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 232.123 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 74514-34-4 |
|---|---|
| SMILES | CC(CCC(C(=C)C)Cl)CCOC(=O)C |
| InChIKey | BHBSNEFCQFHMQK-UHFFFAOYSA-N |
Product Overview
alpha-Citronellyl acetate, 6-chloro- (CAS 74514-34-4), with molecular formula C12H21ClO2 and molecular weight 232.12 g/mol. IUPAC: (6-chloro-3,7-dimethyloct-7-enyl) acetate.
Chemical Property Profile of alpha-Citronellyl acetate, 6-chloro-
Property Insights of alpha-Citronellyl acetate, 6-chloro-
The XLogP value of 3.9 indicates that alpha-Citronellyl acetate, 6-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, alpha-Citronellyl acetate, 6-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Citronellyl acetate, 6-chloro- has 0 hydrogen bond donor(s) and 2 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 alpha-Citronellyl acetate, 6-chloro-?
The CAS number of alpha-Citronellyl acetate, 6-chloro- is 74514-34-4.
What is the molecular formula of alpha-Citronellyl acetate, 6-chloro-?
The molecular formula of alpha-Citronellyl acetate, 6-chloro- is C12H21ClO2.
What is the molecular weight of alpha-Citronellyl acetate, 6-chloro-?
The molecular weight of alpha-Citronellyl acetate, 6-chloro- is 232.12 g/mol.
Where can I buy alpha-Citronellyl acetate, 6-chloro-?
You can request a quote for alpha-Citronellyl acetate, 6-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Citronellyl acetate, 6-chloro-?
Yes, KEHONG BIO provides custom synthesis services for alpha-Citronellyl acetate, 6-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.