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Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]-
TL;DR: Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]- (CAS 55976-04-0) is a chemical compound with molecular formula C11H14Cl2O and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-chloro-2-(chloromethyl)-3-methoxypropyl]benzene
Also Known As: [1-chloro-2-3-methoxypropyl]benzene|[1,3-Dichloro-2-(methoxymethyl)propyl]benzene|[1-Chloro-2- -3-methoxypropyl]benzene|[1-chloro-2-(chloromethyl)-3-methoxypropyl]benzene|[1,3-Dichloro-2-(methoxymethyl)propyl]benzene #|Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]-|RCROGCWCJWOPAD-UHFFFAOYSA-N
| Molecular Formula | C11H14Cl2O |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.04218 |
| Heavy Atoms | 14 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 55976-04-0 |
|---|---|
| SMILES | COCC(CCl)C(C1=CC=CC=C1)Cl |
| InChIKey | RCROGCWCJWOPAD-UHFFFAOYSA-N |
Product Overview
Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]- (CAS 55976-04-0), with molecular formula C11H14Cl2O and molecular weight 232.04 g/mol. IUPAC: [1-chloro-2-(chloromethyl)-3-methoxypropyl]benzene.
Chemical Property Profile of Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]-
Property Insights of Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]-
The XLogP value of 3.0 indicates that Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]- 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 Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]-?
The CAS number of Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]- is 55976-04-0.
What is the molecular formula of Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]-?
The molecular formula of Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]- is C11H14Cl2O.
What is the molecular weight of Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]-?
The molecular weight of Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]- is 232.04 g/mol.
Where can I buy Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]-?
You can request a quote for Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [1-chloro-2-(chloromethyl)-3-methoxypropyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.