CAS RN: 142768-49-8
N-Methoxy-3-hydroxymethylcarbazole
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.20260113 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS142768-49-8
- Purity/Analytical Methods: >99.0%
142768-49-8 / (9-methoxycarbazol-3-yl)methanol
Basic Information
CAS
142768-49-8
Multi CAS
No
Molecular Formula
C14H13NO2
Molecular Weight
227.260000
Exact Mass
227.094629
SMILES
CON1C2=C(C=C(C=C2)CO)C3=CC=CC=C31
InChI
InChI=1S/C14H13NO2/c1-17-15-13-5-3-2-4-11(13)12-8-10(9-16)6-7-14(12)15/h2-8,16H,9H2,1H3
InChIKey
OGVBLMOKWOEKIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.87
TPSA
34.39
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.9
Consensus LogP
2.44
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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