(1-Chloro-3-methoxypropyl)benzene
TL;DR: (1-Chloro-3-methoxypropyl)benzene (CAS 55955-55-0) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-chloro-3-methoxypropyl)benzene
Also Known As: (1-Chloro-3-methoxypropyl)benzene, Benzene, (1-chloro-3-methoxypropyl)-, (1-chloro-3-methoxy-propyl)benzene, 3-Chlor-3-phenyl-propyl-methylether, (1-Chloro-3-methoxypropyl)benzene #
| Molecular Formula | C10H13ClO |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.06549 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 55955-55-0 |
|---|---|
| SMILES | COCCC(C1=CC=CC=C1)Cl |
| InChIKey | MFBQCYBKAPHBRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Chloro-3-methoxypropyl)benzene (CAS 55955-55-0), with molecular formula C10H13ClO and molecular weight 184.07 g/mol. IUPAC: (1-chloro-3-methoxypropyl)benzene.
Chemical Property Profile of (1-Chloro-3-methoxypropyl)benzene
Property Insights of (1-Chloro-3-methoxypropyl)benzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Chloro-3-methoxypropyl)benzene. With a topological polar surface area (TPSA) of 9.2 Ų, (1-Chloro-3-methoxypropyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Chloro-3-methoxypropyl)benzene 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 (1-Chloro-3-methoxypropyl)benzene?
The CAS number of (1-Chloro-3-methoxypropyl)benzene is 55955-55-0.
What is the molecular formula of (1-Chloro-3-methoxypropyl)benzene?
The molecular formula of (1-Chloro-3-methoxypropyl)benzene is C10H13ClO.
What is the molecular weight of (1-Chloro-3-methoxypropyl)benzene?
The molecular weight of (1-Chloro-3-methoxypropyl)benzene is 184.07 g/mol.
Where can I buy (1-Chloro-3-methoxypropyl)benzene?
You can request a quote for (1-Chloro-3-methoxypropyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Chloro-3-methoxypropyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Chloro-3-methoxypropyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.