C12H19ClO2
TL;DR: C12H19ClO2 (CAS 1005117-11-2) is a chemical compound with molecular formula C12H19ClO2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trimethylcyclohex-3-en-1-yl)methyl 2-chloroacetate
Also Known As: (2,4,6-trimethylcyclohex-3-en-1-yl)methyl 2-chloroacetate, (2,4,6-trimethylcyclohex-3-en-1-yl)methyl chloroacetate, C12H19ClO2
| Molecular Formula | C12H19ClO2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 3.0068 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.10736 |
| Heavy Atoms | 15 |
| Complexity | 260.34775 |
Chemical Identifiers
| CAS Number | 1005117-11-2 |
|---|---|
| SMILES | CC1CC(=CC(C1COC(=O)CCl)C)C |
Product Overview
C12H19ClO2 (CAS 1005117-11-2), with molecular formula C12H19ClO2 and molecular weight 230.11 g/mol. IUPAC: (2,4,6-trimethylcyclohex-3-en-1-yl)methyl 2-chloroacetate.
Chemical Property Profile of C12H19ClO2
Property Insights of C12H19ClO2
The XLogP value of 3.0068 indicates that C12H19ClO2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, C12H19ClO2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C12H19ClO2 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 C12H19ClO2?
The CAS number of C12H19ClO2 is 1005117-11-2.
What is the molecular formula of C12H19ClO2?
The molecular formula of C12H19ClO2 is C12H19ClO2.
What is the molecular weight of C12H19ClO2?
The molecular weight of C12H19ClO2 is 230.11 g/mol.
Where can I buy C12H19ClO2?
You can request a quote for C12H19ClO2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H19ClO2?
Yes, KEHONG BIO provides custom synthesis services for C12H19ClO2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.