CAS RN: 183293-62-1
5-Amino-2-methylphenol sulfate
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.20250126 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS183293-62-1
- Purity/Analytical Methods: >99.0%
183293-62-1 / 5-amino-2-methylphenol;sulfuric acid
Basic Information
CAS
183293-62-1
Multi CAS
No
Molecular Formula
C7H11NO5S
Molecular Weight
221.230000
Exact Mass
221.035794
SMILES
CC1=C(C=C(C=C1)N)O.OS(=O)(=O)O
InChI
InChI=1S/C7H9NO.H2O4S/c1-5-2-3-6(8)4-7(5)9;1-5(2,3)4/h2-4,9H,8H2,1H3;(H2,1,2,3,4)
InChIKey
OOUDTDWQXPSATC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
4
Molar refractivity
51.43
TPSA
120.85
LogP / Solubility
WLOGP
0.63
MLOGP
0.56
XLogP3
0.63
Consensus LogP
0.61
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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