2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride
TL;DR: 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride (CAS 154445-78-0) is a chemical compound with molecular formula C13H17ClO3S and molecular weight 288.0587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonyl chloride
Also Known As: Pbf-Cl, 2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-sulfonyl chloride, 2,2,4,6,7-Pentamethyldihydrobenzofuran-5-sulfonyl chloride, CHLOROMETHYLTRIMETHYLTIN, 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonyl chloride
Technical Specifications
| Molecular Formula | C13H17ClO3S |
| Molecular Weight | 288.0587 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.0587 Da |
| Heavy Atoms | 18 |
| Complexity | 426.0 |
| SMILES | CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)Cl)C |
| InChIKey | HLJKUZUILACRPQ-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride
Property Insights of 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride
The XLogP value of 3.7 indicates that 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride 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
What is the CAS number of 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride?
The CAS number of 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride is 154445-78-0.
What is the molecular formula of 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride?
The molecular formula of 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride is C13H17ClO3S.
What is the molecular weight of 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride?
The molecular weight of 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride is 288.0587 g/mol.
Where can I buy 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride?
You can request a quote for 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.