CAS RN: 23010-10-8
2-tert-Butoxyphenol
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.20260613 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS23010-10-8
- Purity/Analytical Methods: >99.0%
23010-10-8 / 3-tert-butylbenzene-1,2-diol
Basic Information
CAS
23010-10-8
Multi CAS
No
Molecular Formula
C10H14O2
Molecular Weight
166.220000
Exact Mass
166.099380
SMILES
CC(C)(C)C1=C(C(=CC=C1)O)O
InChI
InChI=1S/C10H14O2/c1-10(2,3)12-9-7-5-4-6-8(9)11/h4-7,11H,1-3H3
InChIKey
CEGFADRHLIZQIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.47
TPSA
40.46
LogP / Solubility
WLOGP
2.4
MLOGP
2.1
XLogP3
2.9
Consensus LogP
2.47
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
-
5-Oxazolecarboxylicacid,4-methyl-,methylester(6CI,8CI,9CI)
- CAS RN: 23012-23-9
- Product Code: starshine_CAS23012-23-9
- Purity/Analytical method: >99.0%
