CAS RN: 235423-04-8
(S)-2,2-dimethylchroman-4-amine
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.20250423 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS235423-04-8
- Purity/Analytical Methods: >99.0%
235423-04-8 / (4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine
Basic Information
CAS
235423-04-8
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
CC1(C[C@@H](C2=CC=CC=C2O1)N)C
InChI
InChI=1S/C11H15NO/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11/h3-6,9H,7,12H2,1-2H3/t9-/m0/s1
InChIKey
YSTIIIRGSQEQNH-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.69
TPSA
35.25
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
1.5
Consensus LogP
1.91
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
