B 1489
TL;DR: B 1489 (CAS 136996-80-0) is a chemical compound with molecular formula C18H23ClF3N3O2S and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methyl-1,3-thiazol-5-yl)oxy]-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;hydrochloride
Also Known As: B 1489, 1-Piperazineethanol, alpha-(((4-methyl-5-thiazolyl)oxy)methyl)-4-(3-(trifluoromethyl)phenyl)-,monohydrochloride, 3-(4-m-Trifluoromethylphenylpiperazin-1-yl)-1-(4-methylthiazolyl-5-oxy)propan-2-ol HCl, 1-[(4-methyl-1,3-thiazol-5-yl)oxy]-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol hydrochloride, 1-[(4-Methyl-1,3-thiazol-5-yl)oxy]-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol--hydrogen chloride (1/1)
| Molecular Formula | C18H23ClF3N3O2S |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 3.45402 |
| Topological Polar Surface Area | 48.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.11517 |
| Heavy Atoms | 28 |
| Complexity | 751.6722 |
Chemical Identifiers
| CAS Number | 136996-80-0 |
|---|---|
| SMILES | CC1=C(SC=N1)OCC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O.Cl |
Product Overview
B 1489 (CAS 136996-80-0), with molecular formula C18H23ClF3N3O2S and molecular weight 437.12 g/mol. IUPAC: 1-[(4-methyl-1,3-thiazol-5-yl)oxy]-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;hydrochloride.
Chemical Property Profile of B 1489
Property Insights of B 1489
The XLogP value of 3.45402 indicates that B 1489 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.83 Ų, B 1489 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, B 1489 has 1 hydrogen bond donor(s) and 6 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 B 1489?
The CAS number of B 1489 is 136996-80-0.
What is the molecular formula of B 1489?
The molecular formula of B 1489 is C18H23ClF3N3O2S.
What is the molecular weight of B 1489?
The molecular weight of B 1489 is 437.12 g/mol.
Where can I buy B 1489?
You can request a quote for B 1489 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B 1489?
Yes, KEHONG BIO provides custom synthesis services for B 1489 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.