CAS RN: 1334499-96-5
4-(4-Chloro-2-methoxyphenyl)aniline
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-040217
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1334499-96-5 / 4-(4-chloro-2-methoxyphenyl)aniline
Basic Information
CAS
1334499-96-5
Multi CAS
No
Molecular Formula
C13H12ClNO
Molecular Weight
233.690000
Exact Mass
233.060742
SMILES
COC1=C(C=CC(=C1)Cl)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H12ClNO/c1-16-13-8-10(14)4-7-12(13)9-2-5-11(15)6-3-9/h2-8H,15H2,1H3
InChIKey
LXVLGXFUOKOIHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.85
TPSA
35.25
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
3.7
Consensus LogP
3.49
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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