Trioxifene mesylate
TL;DR: Trioxifene mesylate (CAS 68307-81-3) is a chemical compound with molecular formula C31H35NO6S and molecular weight 549.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
Also Known As: Trioxifene mesylate, Trioxifene mesilate, Methanesulfonate, Trioxifene (mesylate), Trioxifene mesylate [USAN]
| Molecular Formula | C31H35NO6S |
|---|---|
| Molecular Weight | 549.22 g/mol |
| LogP | 5.41 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.2185 |
| Heavy Atoms | 39 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 68307-81-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3CC2)C(=O)C4=CC=C(C=C4)OCCN5CCCC5.CS(=O)(=O)O |
| InChIKey | RAHJASYQAFJPFD-UHFFFAOYSA-N |
Product Overview
Trioxifene mesylate (CAS 68307-81-3), with molecular formula C31H35NO6S and molecular weight 549.22 g/mol. IUPAC: methanesulfonic acid;[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone.
Chemical Property Profile of Trioxifene mesylate
Property Insights of Trioxifene mesylate
The XLogP value of 5.41 indicates that Trioxifene mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trioxifene mesylate. Following Lipinski's Rule of Five, Trioxifene mesylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trioxifene mesylate?
The CAS number of Trioxifene mesylate is 68307-81-3.
What is the molecular formula of Trioxifene mesylate?
The molecular formula of Trioxifene mesylate is C31H35NO6S.
What is the molecular weight of Trioxifene mesylate?
The molecular weight of Trioxifene mesylate is 549.22 g/mol.
Where can I buy Trioxifene mesylate?
You can request a quote for Trioxifene mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trioxifene mesylate?
Yes, KEHONG BIO provides custom synthesis services for Trioxifene mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.