1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene
TL;DR: 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene (CAS 4412-51-5) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-1,3-dioxolane
Also Known As: 2-(4-Chlorobenzyl)-1,3-dioxolane, 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene, 2-[(4-chlorophenyl)methyl]-1,3-dioxolane, chloro-4-(1,3-dioxolan-2-ylmethyl)benzene, 4-Chlorobenzeneacetaldehyde ethylene acetal
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.2554 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 264.75818 |
Chemical Identifiers
| CAS Number | 4412-51-5 |
|---|---|
| SMILES | C1COC(O1)CC2=CC=C(C=C2)Cl |
Product Overview
1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene (CAS 4412-51-5), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-1,3-dioxolane.
Chemical Property Profile of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene
Property Insights of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene
The XLogP value of 2.2554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene. With a topological polar surface area (TPSA) of 18.46 Ų, 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene 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 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene?
The CAS number of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene is 4412-51-5.
What is the molecular formula of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene?
The molecular formula of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene is C10H11ClO2.
What is the molecular weight of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene?
The molecular weight of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene is 198.04 g/mol.
Where can I buy 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene?
You can request a quote for 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.