新戊苯基氯化物
TL;DR: 新戊苯基氯化物 (CAS 515-40-2) 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.
新戊苯基氯化物
(1-chloro-2-methylpropan-2-yl)benzene
Also Known As: Neophyl chloride, 1-Chloro-2-methyl-2-phenylpropane, 2-Chloromethyl-2-phenylpropane, (1-chloro-2-methylpropan-2-yl)benzene, neophylchloride
| Molecular Formula | C10H13Cl |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07057 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 515-40-2 |
|---|---|
| SMILES | CC(C)(CCl)C1=CC=CC=C1 |
| InChIKey | DNXXUUPUQXSUFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
新戊苯基氯化物 (CAS 515-40-2), with molecular formula C10H13Cl and molecular weight 168.07 g/mol. IUPAC: (1-chloro-2-methylpropan-2-yl)benzene.
Chemical Property Profile of 新戊苯基氯化物
Property Insights of 新戊苯基氯化物
The XLogP value of 4.2 indicates that 新戊苯基氯化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 新戊苯基氯化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新戊苯基氯化物 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 新戊苯基氯化物?
The CAS number of 新戊苯基氯化物 is 515-40-2.
What is the molecular formula of 新戊苯基氯化物?
The molecular formula of 新戊苯基氯化物 is C10H13Cl.
What is the molecular weight of 新戊苯基氯化物?
The molecular weight of 新戊苯基氯化物 is 168.07 g/mol.
Where can I buy 新戊苯基氯化物?
You can request a quote for 新戊苯基氯化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新戊苯基氯化物?
Yes, KEHONG BIO provides custom synthesis services for 新戊苯基氯化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.