(3-Chloro-1-methoxypropyl)benzene
TL;DR: (3-Chloro-1-methoxypropyl)benzene (CAS 4446-91-7) 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.
(3-chloro-1-methoxypropyl)benzene
Also Known As: (3-Chloro-1-methoxypropyl)benzene, starbld0003843, 3-Methoxy-3-Phenylpropyl Chloride, 3-Chloro-1-phenyl-1-methoxypropane, 3-methoxy-3-phenyl-1-chloropropane
| 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 | 4446-91-7 |
|---|---|
| SMILES | COC(CCCl)C1=CC=CC=C1 |
| InChIKey | XXYMJFXCBAUDMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Chloro-1-methoxypropyl)benzene (CAS 4446-91-7), with molecular formula C10H13ClO and molecular weight 184.07 g/mol. IUPAC: (3-chloro-1-methoxypropyl)benzene.
Chemical Property Profile of (3-Chloro-1-methoxypropyl)benzene
Property Insights of (3-Chloro-1-methoxypropyl)benzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chloro-1-methoxypropyl)benzene. With a topological polar surface area (TPSA) of 9.2 Ų, (3-Chloro-1-methoxypropyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-1-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 (3-Chloro-1-methoxypropyl)benzene?
The CAS number of (3-Chloro-1-methoxypropyl)benzene is 4446-91-7.
What is the molecular formula of (3-Chloro-1-methoxypropyl)benzene?
The molecular formula of (3-Chloro-1-methoxypropyl)benzene is C10H13ClO.
What is the molecular weight of (3-Chloro-1-methoxypropyl)benzene?
The molecular weight of (3-Chloro-1-methoxypropyl)benzene is 184.07 g/mol.
Where can I buy (3-Chloro-1-methoxypropyl)benzene?
You can request a quote for (3-Chloro-1-methoxypropyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-1-methoxypropyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-1-methoxypropyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.