![CAS 1629604-34-7 Benzenamine, 4-methoxy-N-[4-(methylthio)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1629604-34-7.gif)
CAS RN: 1629604-34-7
Benzenamine, 4-methoxy-N-[4-(methylthio)phenyl]-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251109 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1629604-34-7
- Purity/Analytical Methods: >99.0%
1629604-34-7 / 4-methoxy-N-(4-methylsulfanylphenyl)aniline
Basic Information
CAS
1629604-34-7
Multi CAS
No
Molecular Formula
C14H15NOS
Molecular Weight
245.340000
Exact Mass
245.087435
SMILES
COC1=CC=C(C=C1)NC2=CC=C(C=C2)SC
InChI
InChI=1S/C14H15NOS/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10,15H,1-2H3
InChIKey
NNAVRCIAUVILJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.5
TPSA
21.26
LogP / Solubility
WLOGP
4.16
MLOGP
3.67
XLogP3
3.9
Consensus LogP
3.91
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26
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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![CAS 1629658-28-1 (2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-3-(4-CHLORO-3-FLUOROPHENYL)PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB44808440.gif)
