![CAS 5716-20-1 ALPHA-[BUTYLAMINO]METHYL-P-HYDROXYBENZYL ALCOHOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5716-20-1.gif)
CAS RN: 5716-20-1
ALPHA-[BUTYLAMINO]METHYL-P-HYDROXYBENZYL ALCOHOL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250509 | 5g | In stock | Inquiry |
- Product code: starshine_CAS5716-20-1
- Purity/Analytical Methods: >99.0%
5716-20-1 / 4-[2-(butylamino)-1-hydroxyethyl]phenol;sulfuric acid
Basic Information
CAS
5716-20-1
Multi CAS
Yes
Molecular Formula
C12H21NO6S
Molecular Weight
307.370000
Exact Mass
307.108959
InChI
InChI=1S/C12H19NO2.H2O4S/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;1-5(2,3)4/h4-7,12-15H,2-3,8-9H2,1H3;(H2,1,2,3,4)
InChIKey
LHQHLXHNHWARAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
5
Molar refractivity
75.02
TPSA
127.09
LogP / Solubility
WLOGP
1.16
MLOGP
1.04
XLogP3
1.16
Consensus LogP
1.12
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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- Product Code: starshine_CAS5717-16-8
- Purity/Analytical method: >99.0%
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