CAS RN: 50293-91-9
(S)-Albuterol 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.20250803 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS50293-91-9
- Purity/Analytical Methods: >99.0%
50293-91-9 / 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;hydrochloride
Basic Information
CAS
50293-91-9
Multi CAS
Yes
Molecular Formula
C13H22CLNO3
Molecular Weight
275.770000
Exact Mass
275.128821
InChI
InChI=1S/C13H21NO3.ClH/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;/h4-6,12,14-17H,7-8H2,1-3H3;1H/t12-;/m1./s1
InChIKey
OWNWYCOLFIFTLK-UTONKHPSSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
73.99
TPSA
72.72
LogP / Solubility
WLOGP
1.73
MLOGP
1.53
XLogP3
1.73
Consensus LogP
1.66
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
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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