4-叔丁基苯甲酰氯
TL;DR: 4-叔丁基苯甲酰氯 (CAS 1710-98-1) is a chemical compound with molecular formula C11H13ClO and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-叔丁基苯甲酰氯
4-tert-butylbenzoyl chloride
Also Known As: 4-tert-Butylbenzoyl chloride, 4-tert-Butylbenzoylchloride, Benzoyl chloride, 4-(1,1-dimethylethyl)-, p-tert-Butylbenzoyl chloride, p-t-butylbenzoyl chloride
| Molecular Formula | C11H13ClO |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.06549 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 1710-98-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)Cl |
| InChIKey | WNLMYNASWOULQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-叔丁基苯甲酰氯 (CAS 1710-98-1), with molecular formula C11H13ClO and molecular weight 196.07 g/mol. IUPAC: 4-tert-butylbenzoyl chloride.
Chemical Property Profile of 4-叔丁基苯甲酰氯
Property Insights of 4-叔丁基苯甲酰氯
The XLogP value of 4.8 indicates that 4-叔丁基苯甲酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-叔丁基苯甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-叔丁基苯甲酰氯 has 0 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 4-叔丁基苯甲酰氯?
The CAS number of 4-叔丁基苯甲酰氯 is 1710-98-1.
What is the molecular formula of 4-叔丁基苯甲酰氯?
The molecular formula of 4-叔丁基苯甲酰氯 is C11H13ClO.
What is the molecular weight of 4-叔丁基苯甲酰氯?
The molecular weight of 4-叔丁基苯甲酰氯 is 196.07 g/mol.
Where can I buy 4-叔丁基苯甲酰氯?
You can request a quote for 4-叔丁基苯甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-叔丁基苯甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 4-叔丁基苯甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.