YM158 free base
TL;DR: YM158 free base (CAS 179102-65-9) is a chemical compound with molecular formula C32H33ClN6O5S2 and molecular weight 680.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-(2H-tetrazol-5-ylmethoxy)phenyl]benzamide
Also Known As: YM158 free base, YM-158 free base, YM158 (free base), J2.450.909E, 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-(2H-tetrazol-5-ylmethoxy)phenyl]benzamide
| Molecular Formula | C32H33ClN6O5S2 |
|---|---|
| Molecular Weight | 680.16 g/mol |
| LogP | 6.4239 |
| Topological Polar Surface Area | 149.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 680.16425 |
| Heavy Atoms | 46 |
| Complexity | 1888.815 |
Chemical Identifiers
| CAS Number | 179102-65-9 |
|---|---|
| SMILES | CC(C)(C)C1=CSC(=N1)COC2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)CCCS(=O)(=O)C4=CC=C(C=C4)Cl)OCC5=NNN=N5 |
Product Overview
YM158 free base (CAS 179102-65-9), with molecular formula C32H33ClN6O5S2 and molecular weight 680.16 g/mol. IUPAC: 3-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-(2H-tetrazol-5-ylmethoxy)phenyl]benzamide.
Chemical Property Profile of YM158 free base
Property Insights of YM158 free base
The XLogP value of 6.4239 indicates that YM158 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.05 Ų indicates high polarity, suggesting YM158 free base may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, YM158 free base has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of YM158 free base?
The CAS number of YM158 free base is 179102-65-9.
What is the molecular formula of YM158 free base?
The molecular formula of YM158 free base is C32H33ClN6O5S2.
What is the molecular weight of YM158 free base?
The molecular weight of YM158 free base is 680.16 g/mol.
Where can I buy YM158 free base?
You can request a quote for YM158 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM158 free base?
Yes, KEHONG BIO provides custom synthesis services for YM158 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.