CAS RN: 1821908-49-9
SGC2085
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.20250321 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1821908-49-9
- Purity/Analytical Methods: >99.0%
1821908-49-9 / (2S)-2-amino-N-[[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl]propanamide;hydrochloride
Basic Information
CAS
1821908-49-9
Multi CAS
No
Molecular Formula
C19H25ClN2O2
Molecular Weight
348.900000
Exact Mass
348.160456
SMILES
CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)CNC(=O)[C@H](C)N)C)C.Cl
InChI
InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
InChIKey
OQGSBQJSJRLNQH-RSAXXLAASA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
99.91
TPSA
64.35
LogP / Solubility
WLOGP
3.79
MLOGP
3.35
XLogP3
3.79
Consensus LogP
3.64
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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