Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate
TL;DR: Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate (CAS 260355-01-9) is a chemical compound with molecular formula C29H24O2S and molecular weight 436.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate
Also Known As: Maybridge1_008232, methyl 4-(3,3,3-triphenyl-2-thioxopropyl)benzoate, methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate
| Molecular Formula | C29H24O2S |
|---|---|
| Molecular Weight | 436.15 g/mol |
| LogP | 6.4202 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.1497 |
| Heavy Atoms | 32 |
| Complexity | 1087.7227 |
Chemical Identifiers
| CAS Number | 260355-01-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CC(=S)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate (CAS 260355-01-9), with molecular formula C29H24O2S and molecular weight 436.15 g/mol. IUPAC: methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate.
Chemical Property Profile of Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate
Property Insights of Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate
The XLogP value of 6.4202 indicates that Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate?
The CAS number of Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate is 260355-01-9.
What is the molecular formula of Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate?
The molecular formula of Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate is C29H24O2S.
What is the molecular weight of Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate?
The molecular weight of Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate is 436.15 g/mol.
Where can I buy Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate?
You can request a quote for Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3,3,3-triphenyl-2-sulfanylidenepropyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.