CAS RN: 6656-13-9
candicine
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.20250413 | 10mg / 20mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6656-13-9
- Purity/Analytical Methods: >99.0%
6656-13-9 / 2-(4-hydroxyphenyl)ethyl-trimethylazanium
Basic Information
CAS
6656-13-9
Multi CAS
Yes
Molecular Formula
C11H18NO
Molecular Weight
180.270000
Exact Mass
180.138839
InChI
InChI=1S/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1
InChIKey
PTOJXIKSKSASRB-UHFFFAOYSA-O
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.71
TPSA
20.23
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
2.1
Consensus LogP
1.73
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
6-GUANIDINOHEXANOIC ACID
- CAS RN: 6659-35-4
- Product Code: starshine_CAS6659-35-4
- Purity/Analytical method: >99.0%
-
1′,2′-dihydrorotenone
- CAS RN: 6659-45-6
- Product Code: starshine_CAS6659-45-6
- Purity/Analytical method: >99.0%
-
2,2′,6,6′-TETRAMETHYL-4,4′-BIPYRIDINE
- CAS RN: 6662-72-2
- Product Code: starshine_CAS6662-72-2
- Purity/Analytical method: >99.0%
-
2-AMINO-3-CHLOROPYRAZINE
- CAS RN: 6663-73-6
- Product Code: starshine_CAS6663-73-6
- Purity/Analytical method: >99.0%
