2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate
TL;DR: 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate (CAS 881475-41-8) is a chemical compound with molecular formula C14H13BrO4S and molecular weight 355.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl) 4-methoxy-3-methylbenzenesulfonate
Also Known As: 2-bromophenyl 4-methoxy-3-methylbenzenesulfonate, (2-bromophenyl) 4-methoxy-3-methylbenzenesulfonate, 2-bromophenyl 4-methoxy-3-methylbenzene-1-sulfonate, AP-263/42467137
| Molecular Formula | C14H13BrO4S |
|---|---|
| Molecular Weight | 355.97 g/mol |
| LogP | 3.53382 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.9718 |
| Heavy Atoms | 20 |
| Complexity | 725.7038 |
Chemical Identifiers
| CAS Number | 881475-41-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2Br)OC |
Product Overview
2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate (CAS 881475-41-8), with molecular formula C14H13BrO4S and molecular weight 355.97 g/mol. IUPAC: (2-bromophenyl) 4-methoxy-3-methylbenzenesulfonate.
Chemical Property Profile of 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate
Property Insights of 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate
The XLogP value of 3.53382 indicates that 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate 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
Frequently Asked Questions
What is the CAS number of 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate?
The CAS number of 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate is 881475-41-8.
What is the molecular formula of 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate?
The molecular formula of 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate is C14H13BrO4S.
What is the molecular weight of 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate?
The molecular weight of 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate is 355.97 g/mol.
Where can I buy 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate?
You can request a quote for 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromophenyl 4-methoxy-3-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.