3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid
TL;DR: 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid (CAS 136346-22-0) is a chemical compound with molecular formula C7H5Cl5O2S and molecular weight 327.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)propanoic acid
Also Known As: Propanoicacid, 3-[(1,2,3,4,4-pentachloro-1,3-butadien-1-yl)thio]-, 3-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)propanoic acid, 3-((1E)-1,2,3,4,4-pentachlorobuta-1,3-dienyl)sulfanylpropanoic acid
| Molecular Formula | C7H5Cl5O2S |
|---|---|
| Molecular Weight | 327.85 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.84528 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 136346-22-0 |
|---|---|
| SMILES | C(CSC(=C(C(=C(Cl)Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | JBKGTJBEZWMKEN-UHFFFAOYSA-N |
Product Overview
3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid (CAS 136346-22-0), with molecular formula C7H5Cl5O2S and molecular weight 327.85 g/mol. IUPAC: 3-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)propanoic acid.
Chemical Property Profile of 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid
Property Insights of 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid
The XLogP value of 4.3 indicates that 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid. Following Lipinski's Rule of Five, 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid has 1 hydrogen bond donor(s) and 3 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 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid?
The CAS number of 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid is 136346-22-0.
What is the molecular formula of 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid?
The molecular formula of 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid is C7H5Cl5O2S.
What is the molecular weight of 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid?
The molecular weight of 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid is 327.85 g/mol.
Where can I buy 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid?
You can request a quote for 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,2,3,4,4-Pentachlorobuta-1,3-dienylsulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.