4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate
TL;DR: 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate (CAS 5746-94-1) is a chemical compound with molecular formula C23H22O3S and molecular weight 378.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-diphenylbut-3-enyl 4-methylbenzenesulfonate
Also Known As: J2.126.298F, p-Toluenesulfonic acid 4,4-diphenyl-3-butenyl ester, 4,4-diphenylbut-3-enyl 4-methylbenzenesulfonate, 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate
| Molecular Formula | C23H22O3S |
|---|---|
| Molecular Weight | 378.13 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.12897 |
| Heavy Atoms | 27 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 5746-94-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC=C(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | WWFVCGPPNVAKFG-UHFFFAOYSA-N |
Product Overview
4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate (CAS 5746-94-1), with molecular formula C23H22O3S and molecular weight 378.13 g/mol. IUPAC: 4,4-diphenylbut-3-enyl 4-methylbenzenesulfonate.
Chemical Property Profile of 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate
Property Insights of 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate
The XLogP value of 6.1 indicates that 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate 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 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate?
The CAS number of 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate is 5746-94-1.
What is the molecular formula of 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate?
The molecular formula of 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate is C23H22O3S.
What is the molecular weight of 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate?
The molecular weight of 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate is 378.13 g/mol.
Where can I buy 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate?
You can request a quote for 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Diphenylbut-3-en-1-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.