Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)-
TL;DR: Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)- (CAS 21484-05-9) is a chemical compound with molecular formula C4HCl5 and molecular weight 223.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-1,1,2,3,4-pentachlorobuta-1,3-diene
Also Known As: e-pentachlorobutadiene, (E)-1,1,2,3,4-Pentachloro-1,3-butadiene, EINECS 227-107-7, (3E)-1,1,2,3,4-pentachlorobuta-1,3-diene, (3E)-1,1,2,3,4-Pentachloro-1,3-butadiene
| Molecular Formula | C4HCl5 |
|---|---|
| Molecular Weight | 223.85 g/mol |
| LogP | 4.1909 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.8521 |
| Heavy Atoms | 9 |
| Complexity | 152.34093 |
Chemical Identifiers
| CAS Number | 21484-05-9 |
|---|---|
| SMILES | C(=C(\C(=C(Cl)Cl)Cl)/Cl)\Cl |
Product Overview
Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)- (CAS 21484-05-9), with molecular formula C4HCl5 and molecular weight 223.85 g/mol. IUPAC: (3E)-1,1,2,3,4-pentachlorobuta-1,3-diene.
Chemical Property Profile of Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)-
Property Insights of Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)-
The XLogP value of 4.1909 indicates that Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)- has 0 hydrogen bond donor(s) and 0 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 Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)-?
The CAS number of Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)- is 21484-05-9.
What is the molecular formula of Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)-?
The molecular formula of Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)- is C4HCl5.
What is the molecular weight of Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)-?
The molecular weight of Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)- is 223.85 g/mol.
Where can I buy Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)-?
You can request a quote for Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)-?
Yes, KEHONG BIO provides custom synthesis services for Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.