2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol
TL;DR: 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol (CAS 85740-96-1) is a chemical compound with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol
Also Known As: 2-chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol
| Molecular Formula | C12H15ClO3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.07097 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 85740-96-1 |
|---|---|
| SMILES | CC1C(OC(O1)(C)C2=CC(=C(C=C2)Cl)O)C |
| InChIKey | UDDKDVNWXIHONJ-UHFFFAOYSA-N |
Product Overview
2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol (CAS 85740-96-1), with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol. IUPAC: 2-chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol.
Chemical Property Profile of 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol
Property Insights of 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol. With a topological polar surface area (TPSA) of 38.7 Ų, 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol has 1 hydrogen bond donor(s) and 3 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 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol?
The CAS number of 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol is 85740-96-1.
What is the molecular formula of 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol?
The molecular formula of 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol is C12H15ClO3.
What is the molecular weight of 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol?
The molecular weight of 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol is 242.07 g/mol.
Where can I buy 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol?
You can request a quote for 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.