1,3-Butadiene, 1,1,4,4-tetrachloro-
TL;DR: 1,3-Butadiene, 1,1,4,4-tetrachloro- (CAS 36038-53-6) is a chemical compound with molecular formula C4H2Cl4 and molecular weight 189.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,4,4-tetrachlorobuta-1,3-diene
Also Known As: 1,3-Butadiene, 1,1,4,4-tetrachloro-, Tetrachloro-1,3-butadiene, 1,1,4,4-Tetrachlorobutadiene, 1,1,4,4-Tetrachlorbutadien, 1,1,4,4-TETRACHLOROBUTA-1,3-DIENE
| Molecular Formula | C4H2Cl4 |
|---|---|
| Molecular Weight | 189.89 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.8881 |
| Heavy Atoms | 8 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 36038-53-6 |
|---|---|
| SMILES | C(=C(Cl)Cl)C=C(Cl)Cl |
| InChIKey | NDJKZBLOOIFFAS-UHFFFAOYSA-N |
Product Overview
1,3-Butadiene, 1,1,4,4-tetrachloro- (CAS 36038-53-6), with molecular formula C4H2Cl4 and molecular weight 189.89 g/mol. IUPAC: 1,1,4,4-tetrachlorobuta-1,3-diene.
Chemical Property Profile of 1,3-Butadiene, 1,1,4,4-tetrachloro-
Property Insights of 1,3-Butadiene, 1,1,4,4-tetrachloro-
The XLogP value of 4.1 indicates that 1,3-Butadiene, 1,1,4,4-tetrachloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Butadiene, 1,1,4,4-tetrachloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butadiene, 1,1,4,4-tetrachloro- 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 1,3-Butadiene, 1,1,4,4-tetrachloro-?
The CAS number of 1,3-Butadiene, 1,1,4,4-tetrachloro- is 36038-53-6.
What is the molecular formula of 1,3-Butadiene, 1,1,4,4-tetrachloro-?
The molecular formula of 1,3-Butadiene, 1,1,4,4-tetrachloro- is C4H2Cl4.
What is the molecular weight of 1,3-Butadiene, 1,1,4,4-tetrachloro-?
The molecular weight of 1,3-Butadiene, 1,1,4,4-tetrachloro- is 189.89 g/mol.
Where can I buy 1,3-Butadiene, 1,1,4,4-tetrachloro-?
You can request a quote for 1,3-Butadiene, 1,1,4,4-tetrachloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butadiene, 1,1,4,4-tetrachloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butadiene, 1,1,4,4-tetrachloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.