1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene
TL;DR: 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene (CAS 68334-67-8) is a chemical compound with molecular formula C7H7Cl5O and molecular weight 281.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,3,4-pentachloro-4-propan-2-yloxybuta-1,3-diene
Also Known As: 1-Isopropoxypentachlorobutadiene, 1,1,2,3,4-PCMEB, 1,1,2,3,4-Pentachloro-4-(isopropoxy)buta-1,3-diene, 1,3-Butadiene, 1,1,2,3,4-pentachloro-4-(1-methylethoxy)-, 1,1,2,3,4-pentachloro-4- buta-1,3-diene
| Molecular Formula | C7H7Cl5O |
|---|---|
| Molecular Weight | 281.89 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.891 |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 68334-67-8 |
|---|---|
| SMILES | CC(C)OC(=C(C(=C(Cl)Cl)Cl)Cl)Cl |
| InChIKey | NPPXYBKPTKBFMG-UHFFFAOYSA-N |
Product Overview
1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene (CAS 68334-67-8), with molecular formula C7H7Cl5O and molecular weight 281.89 g/mol. IUPAC: 1,1,2,3,4-pentachloro-4-propan-2-yloxybuta-1,3-diene.
Chemical Property Profile of 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene
Property Insights of 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene
The XLogP value of 5.1 indicates that 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene?
The CAS number of 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene is 68334-67-8.
What is the molecular formula of 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene?
The molecular formula of 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene is C7H7Cl5O.
What is the molecular weight of 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene?
The molecular weight of 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene is 281.89 g/mol.
Where can I buy 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene?
You can request a quote for 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2,3,4-Pentachloro-4-(1-methylethoxy)-1,3-butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.