4-氯叔丁苯
TL;DR: 4-氯叔丁苯 (CAS 3972-56-3) is a chemical compound with molecular formula C10H13Cl and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯叔丁苯
1-tert-butyl-4-chlorobenzene
Also Known As: 1-tert-Butyl-4-chlorobenzene, 1-(tert-butyl)-4-chlorobenzene, 1-Chloro-4-(1,1-dimethylethyl)benzene, 4-tert-Butyl-1-chlorobenzene, 4-Chloro-tert-butylbenzene
| Molecular Formula | C10H13Cl |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07057 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 3972-56-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)Cl |
| InChIKey | XRTANKYQJQXSFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯叔丁苯 (CAS 3972-56-3), with molecular formula C10H13Cl and molecular weight 168.07 g/mol. IUPAC: 1-tert-butyl-4-chlorobenzene.
Chemical Property Profile of 4-氯叔丁苯
Property Insights of 4-氯叔丁苯
The XLogP value of 4.3 indicates that 4-氯叔丁苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-氯叔丁苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯叔丁苯 has 0 hydrogen bond donor(s) and 0 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-氯叔丁苯?
The CAS number of 4-氯叔丁苯 is 3972-56-3.
What is the molecular formula of 4-氯叔丁苯?
The molecular formula of 4-氯叔丁苯 is C10H13Cl.
What is the molecular weight of 4-氯叔丁苯?
The molecular weight of 4-氯叔丁苯 is 168.07 g/mol.
Where can I buy 4-氯叔丁苯?
You can request a quote for 4-氯叔丁苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯叔丁苯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯叔丁苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.