WR 172435
TL;DR: WR 172435 (CAS 77076-20-1) is a chemical compound with molecular formula C31H38F6N2O4S and molecular weight 648.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(dibutylamino)propan-1-ol;methanesulfonic acid
Also Known As: WR-172435 MESILATE, WR-172435 MESYLATE, WR 172435, WR-172435 METHANESULFONATE, WR 172,435
| Molecular Formula | C31H38F6N2O4S |
|---|---|
| Molecular Weight | 648.25 g/mol |
| LogP | 8.2829 |
| Topological Polar Surface Area | 90.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 648.24567 |
| Heavy Atoms | 44 |
| Complexity | 1319.3114 |
Chemical Identifiers
| CAS Number | 77076-20-1 |
|---|---|
| SMILES | CCCCN(CCCC)CCC(C1=CC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O.CS(=O)(=O)O |
Product Overview
WR 172435 (CAS 77076-20-1), with molecular formula C31H38F6N2O4S and molecular weight 648.25 g/mol. IUPAC: 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(dibutylamino)propan-1-ol;methanesulfonic acid.
Chemical Property Profile of WR 172435
Property Insights of WR 172435
The XLogP value of 8.2829 indicates that WR 172435 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.73 Ų falls within the moderate polarity range, balancing permeability and solubility for WR 172435. Following Lipinski's Rule of Five, WR 172435 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of WR 172435?
The CAS number of WR 172435 is 77076-20-1.
What is the molecular formula of WR 172435?
The molecular formula of WR 172435 is C31H38F6N2O4S.
What is the molecular weight of WR 172435?
The molecular weight of WR 172435 is 648.25 g/mol.
Where can I buy WR 172435?
You can request a quote for WR 172435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WR 172435?
Yes, KEHONG BIO provides custom synthesis services for WR 172435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.