![CAS 1573000-33-5 [1,1′-Biphenyl]-4-propanol, β-amino-, (βR)- (hydrochloride) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1573000-33-5.gif)
CAS RN: 1573000-33-5
[1,1′-Biphenyl]-4-propanol, β-amino-, (βR)- (hydrochloride)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260502 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1573000-33-5
- Purity/Analytical Methods: >99.0%
1573000-33-5 / (2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
Basic Information
CAS
1573000-33-5
Multi CAS
No
Molecular Formula
C15H18ClNO
Molecular Weight
263.760000
Exact Mass
263.107692
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@H](CO)N.Cl
InChI
InChI=1S/C15H17NO.ClH/c16-15(11-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;/h1-9,15,17H,10-11,16H2;1H/t15-;/m1./s1
InChIKey
FKTREZWLDDUIOL-XFULWGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
77.89
TPSA
46.25
LogP / Solubility
WLOGP
2.64
MLOGP
2.33
XLogP3
2.64
Consensus LogP
2.54
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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