CAS RN: 317351-40-9
(R)-4-(2-(benzyl(methyl)amino)-1-hydroxyethyl)benzene-1,2-diol
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.20251114 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS317351-40-9
- Purity/Analytical Methods: >99.0%
317351-40-9 / 4-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
Basic Information
CAS
317351-40-9
Multi CAS
No
Molecular Formula
C16H19NO3
Molecular Weight
273.330000
Exact Mass
273.136493
InChI
InChI=1S/C16H19NO3/c1-17(10-12-5-3-2-4-6-12)11-16(20)13-7-8-14(18)15(19)9-13/h2-9,16,18-20H,10-11H2,1H3/t16-/m0/s1
InChIKey
YENHZTNWVCNPRW-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
77.51
TPSA
63.93
LogP / Solubility
WLOGP
2.26
MLOGP
2
XLogP3
1.9
Consensus LogP
2.05
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly 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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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