4-Chloro-1,1-dimethoxybutane
TL;DR: 4-Chloro-1,1-dimethoxybutane (CAS 29882-07-3) is a chemical compound with molecular formula C6H13ClO2 and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1,1-dimethoxybutane
Also Known As: 4-Chloro-1,1-dimethoxybutane, 4-Chlorobutanal dimethyl acetal, 4-Chlorobutyraldehyde Dimethyl Acetal, 1-Chloro-4-decyne, 4-Chloro-1,1-dimethoxy-butane
| Molecular Formula | C6H13ClO2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 152.06041 |
| Heavy Atoms | 9 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 29882-07-3 |
|---|---|
| SMILES | COC(CCCCl)OC |
| InChIKey | LTLKJYMNUSSFAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-1,1-dimethoxybutane (CAS 29882-07-3), with molecular formula C6H13ClO2 and molecular weight 152.06 g/mol. IUPAC: 4-chloro-1,1-dimethoxybutane.
Chemical Property Profile of 4-Chloro-1,1-dimethoxybutane
Property Insights of 4-Chloro-1,1-dimethoxybutane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1,1-dimethoxybutane. With a topological polar surface area (TPSA) of 18.5 Ų, 4-Chloro-1,1-dimethoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1,1-dimethoxybutane has 0 hydrogen bond donor(s) and 2 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 4-Chloro-1,1-dimethoxybutane?
The CAS number of 4-Chloro-1,1-dimethoxybutane is 29882-07-3.
What is the molecular formula of 4-Chloro-1,1-dimethoxybutane?
The molecular formula of 4-Chloro-1,1-dimethoxybutane is C6H13ClO2.
What is the molecular weight of 4-Chloro-1,1-dimethoxybutane?
The molecular weight of 4-Chloro-1,1-dimethoxybutane is 152.06 g/mol.
Where can I buy 4-Chloro-1,1-dimethoxybutane?
You can request a quote for 4-Chloro-1,1-dimethoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1,1-dimethoxybutane?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1,1-dimethoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.