3-Hydroxyphenyl 4-tert-butylbenzenesulfonate
TL;DR: 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate (CAS 723264-44-6) is a chemical compound with molecular formula C16H18O4S and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxyphenyl) 4-tert-butylbenzenesulfonate
Also Known As: 3-hydroxyphenyl 4-tert-butylbenzenesulfonate, (3-hydroxyphenyl) 4-tert-butylbenzenesulfonate, AN-652/43024602
| Molecular Formula | C16H18O4S |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 3.4574 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0926 |
| Heavy Atoms | 21 |
| Complexity | 725.61743 |
Chemical Identifiers
| CAS Number | 723264-44-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)O |
Product Overview
3-Hydroxyphenyl 4-tert-butylbenzenesulfonate (CAS 723264-44-6), with molecular formula C16H18O4S and molecular weight 306.09 g/mol. IUPAC: (3-hydroxyphenyl) 4-tert-butylbenzenesulfonate.
Chemical Property Profile of 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate
Property Insights of 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate
The XLogP value of 3.4574 indicates that 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate. Following Lipinski's Rule of Five, 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate has 1 hydrogen bond donor(s) and 4 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-Hydroxyphenyl 4-tert-butylbenzenesulfonate?
The CAS number of 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate is 723264-44-6.
What is the molecular formula of 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate?
The molecular formula of 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate is C16H18O4S.
What is the molecular weight of 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate?
The molecular weight of 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate is 306.09 g/mol.
Where can I buy 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate?
You can request a quote for 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyphenyl 4-tert-butylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.