CAS RN: 6297-14-9
4-AMINO-ALPHA-DIETHYLAMINO-O-CRESOL DIHYDROCHLORIDE
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.20260506 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6297-14-9
- Purity/Analytical Methods: >99.0%
6297-14-9 / 4-amino-2-(diethylaminomethyl)phenol;dihydrochloride
Basic Information
CAS
6297-14-9
Multi CAS
Yes
Molecular Formula
C11H20CL2N2O
Molecular Weight
267.190000
Exact Mass
266.095269
InChI
InChI=1S/C11H18N2O.2ClH/c1-3-13(4-2)8-9-7-10(12)5-6-11(9)14;;/h5-7,14H,3-4,8,12H2,1-2H3;2*1H
InChIKey
PLISWDVQSUTGTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
73.64
TPSA
49.49
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
2.66
Consensus LogP
2.56
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
