![4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane structure](/static/products/6608/66080-23-7.webp)
4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane
TL;DR: 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane (CAS 66080-23-7) is a chemical compound with molecular formula C13H19BO2S and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5,5-tetramethyl-2-(phenylsulfanylmethyl)-1,3,2-dioxaborolane
Also Known As: 4 4 5 5-TETRAMETHYL-2-PHENYLSULFANYLMET&, 4-PENTANOYL-BENZONITRILE, 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-(phenylsulfanylmethyl)-1,3,2-dioxaborolane, J1.601.077D
| Molecular Formula | C13H19BO2S |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 3.4101 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.11989 |
| Heavy Atoms | 17 |
| Complexity | 362.26566 |
Chemical Identifiers
| CAS Number | 66080-23-7 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)CSC2=CC=CC=C2 |
Product Overview
4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane (CAS 66080-23-7), with molecular formula C13H19BO2S and molecular weight 250.12 g/mol. IUPAC: 4,4,5,5-tetramethyl-2-(phenylsulfanylmethyl)-1,3,2-dioxaborolane.
Chemical Property Profile of 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane
Property Insights of 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane
The XLogP value of 3.4101 indicates that 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane has 0 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 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane?
The CAS number of 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane is 66080-23-7.
What is the molecular formula of 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane?
The molecular formula of 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane is C13H19BO2S.
What is the molecular weight of 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane?
The molecular weight of 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane is 250.12 g/mol.
Where can I buy 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane?
You can request a quote for 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane?
Yes, KEHONG BIO provides custom synthesis services for 4,4,5,5-Tetramethyl-2-[(phenylsulfanyl)methyl]-1,3,2-dioxaborolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.