U 10029A
TL;DR: U 10029A (CAS 947-76-2) is a chemical compound with molecular formula C17H19ClF3NO2 and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride
Also Known As: U 10029A, 1-(benzylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol hydrochloride, 2-Propanol, 1-((phenylmethyl)amino)-3-(3-(trifluoromethyl)phenoxy)-, hydrochloride, 1-(Benzylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol--hydrogen chloride (1/1)
| Molecular Formula | C17H19ClF3NO2 |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 3.6567 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.10565 |
| Heavy Atoms | 24 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 947-76-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCC(COC2=CC=CC(=C2)C(F)(F)F)O.Cl |
| InChIKey | MXEXNZRLUKLAGU-UHFFFAOYSA-N |
Product Overview
U 10029A (CAS 947-76-2), with molecular formula C17H19ClF3NO2 and molecular weight 361.11 g/mol. IUPAC: 1-(benzylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride.
Chemical Property Profile of U 10029A
Property Insights of U 10029A
The XLogP value of 3.6567 indicates that U 10029A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, U 10029A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, U 10029A has 3 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 U 10029A?
The CAS number of U 10029A is 947-76-2.
What is the molecular formula of U 10029A?
The molecular formula of U 10029A is C17H19ClF3NO2.
What is the molecular weight of U 10029A?
The molecular weight of U 10029A is 361.11 g/mol.
Where can I buy U 10029A?
You can request a quote for U 10029A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for U 10029A?
Yes, KEHONG BIO provides custom synthesis services for U 10029A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.