(3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate
TL;DR: (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate (CAS 109371-30-4) is a chemical compound with molecular formula C17H20O5S and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate
Also Known As: 2-(Benzyloxy)-3-(tosyloxy)propan-1-ol, (3-hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate, 2-(BENZYLOXY)-3-[(4-METHYLBENZENESULFONYL)OXY]PROPAN-1-OL, 3-(4-methylphenyl)sulfonyloxy-2-phenylmethoxy-propan-1-ol, [(2S)-3-hydroxy-2-phenylmethoxypropyl] 4-methylbenzenesulfonate
| Molecular Formula | C17H20O5S |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 2.27802 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 336.10315 |
| Heavy Atoms | 23 |
| Complexity | 695.5234 |
Chemical Identifiers
| CAS Number | 109371-30-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(CO)OCC2=CC=CC=C2 |
Product Overview
(3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate (CAS 109371-30-4), with molecular formula C17H20O5S and molecular weight 336.10 g/mol. IUPAC: (3-hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate.
Chemical Property Profile of (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate
Property Insights of (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate
The XLogP value of 2.27802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 5 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 (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate?
The CAS number of (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate is 109371-30-4.
What is the molecular formula of (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate?
The molecular formula of (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate is C17H20O5S.
What is the molecular weight of (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate?
The molecular weight of (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate is 336.10 g/mol.
Where can I buy (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate?
You can request a quote for (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (3-Hydroxy-2-phenylmethoxypropyl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.