o-Chloropropylbenzene
TL;DR: o-Chloropropylbenzene (CAS 1730-86-5) is a chemical compound with molecular formula C9H11Cl and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-propylbenzene
Also Known As: 1-Chloro-2-propylbenzene, o-Chloropropylbenzene, Benzene, 1-chloro-2-propyl-, o-Chlor-propyl-benzol, a-chloro-n-propylbenzene
| Molecular Formula | C9H11Cl |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.05493 |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 1730-86-5 |
|---|---|
| SMILES | CCCC1=CC=CC=C1Cl |
| InChIKey | WRZSIHUUDJFHNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Chloropropylbenzene (CAS 1730-86-5), with molecular formula C9H11Cl and molecular weight 154.05 g/mol. IUPAC: 1-chloro-2-propylbenzene.
Chemical Property Profile of o-Chloropropylbenzene
Property Insights of o-Chloropropylbenzene
The XLogP value of 3.9 indicates that o-Chloropropylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, o-Chloropropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Chloropropylbenzene 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 o-Chloropropylbenzene?
The CAS number of o-Chloropropylbenzene is 1730-86-5.
What is the molecular formula of o-Chloropropylbenzene?
The molecular formula of o-Chloropropylbenzene is C9H11Cl.
What is the molecular weight of o-Chloropropylbenzene?
The molecular weight of o-Chloropropylbenzene is 154.05 g/mol.
Where can I buy o-Chloropropylbenzene?
You can request a quote for o-Chloropropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Chloropropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for o-Chloropropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.