对氯-α,α-二甲基苄醇
TL;DR: 对氯-α,α-二甲基苄醇 (CAS 1989-25-9) is a chemical compound with molecular formula C9H11ClO and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对氯-α,α-二甲基苄醇
2-(4-chlorophenyl)propan-2-ol
Also Known As: 2-(4-chlorophenyl)propan-2-ol, 2-(4-Chlorophenyl)-2-propanol, p-Chloro-alpha,alpha-dimethylbenzyl alcohol, 2-(p-Chlorophenyl)-2-propanol, 2-(4-chloro-phenyl)-propan-2-ol
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 1989-25-9 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)Cl)O |
| InChIKey | JQZCRSDZIWKYBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对氯-α,α-二甲基苄醇 (CAS 1989-25-9), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: 2-(4-chlorophenyl)propan-2-ol.
Chemical Property Profile of 对氯-α,α-二甲基苄醇
Property Insights of 对氯-α,α-二甲基苄醇
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对氯-α,α-二甲基苄醇. With a topological polar surface area (TPSA) of 20.2 Ų, 对氯-α,α-二甲基苄醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对氯-α,α-二甲基苄醇 has 1 hydrogen bond donor(s) and 1 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 对氯-α,α-二甲基苄醇?
The CAS number of 对氯-α,α-二甲基苄醇 is 1989-25-9.
What is the molecular formula of 对氯-α,α-二甲基苄醇?
The molecular formula of 对氯-α,α-二甲基苄醇 is C9H11ClO.
What is the molecular weight of 对氯-α,α-二甲基苄醇?
The molecular weight of 对氯-α,α-二甲基苄醇 is 170.05 g/mol.
Where can I buy 对氯-α,α-二甲基苄醇?
You can request a quote for 对氯-α,α-二甲基苄醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对氯-α,α-二甲基苄醇?
Yes, KEHONG BIO provides custom synthesis services for 对氯-α,α-二甲基苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.