2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester
TL;DR: 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester (CAS 102834-56-0) is a chemical compound with molecular formula C21H20O4S and molecular weight 368.10822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-phenylmethoxyphenyl) 2-phenylethanesulfonate
Also Known As: 1-phenethylsulfonyloxy-4-phenylmethoxy-benzene, 2-PHENYL-ETHANESULFONIC ACID 4-BENZYLOXY-PHENYL ESTER, (4-phenylmethoxyphenyl) 2-phenylethanesulfonate, 4-(BENZYLOXY)PHENYL 2-PHENYLETHANE-1-SULFONATE, 651-705-0
Technical Specifications
| Molecular Formula | C21H20O4S |
| Molecular Weight | 368.10822 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 368.10822 Da |
| Heavy Atoms | 26 |
| Complexity | 479.0 |
| SMILES | C1=CC=C(C=C1)CCS(=O)(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3 |
| InChIKey | NAOHEYRXSKBYQQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester
Property Insights of 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester
The XLogP value of 4.9 indicates that 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester. Following Lipinski's Rule of Five, 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester has 0 hydrogen bond donor(s) and 4 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-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester?
The CAS number of 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester is 102834-56-0.
What is the molecular formula of 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester?
The molecular formula of 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester is C21H20O4S.
What is the molecular weight of 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester?
The molecular weight of 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester is 368.10822 g/mol.
Where can I buy 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester?
You can request a quote for 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Phenyl-ethanesulfonic acid 4-benzyloxy-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.