CAS RN: 1629269-91-5
4-CHLORO-2-METHOXY-5-(1-METHYLCYCLOPROPYL)ANILINE
- Product code: SSC-070459
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1629269-91-5 / 4-chloro-2-methoxy-5-(1-methylcyclopropyl)aniline
Basic Information
CAS
1629269-91-5
Multi CAS
No
Molecular Formula
C11H14ClNO
Molecular Weight
211.690000
Exact Mass
211.076392
SMILES
CC1(CC1)C2=CC(=C(C=C2Cl)OC)N
InChI
InChI=1S/C11H14ClNO/c1-11(3-4-11)7-5-9(13)10(14-2)6-8(7)12/h5-6H,3-4,13H2,1-2H3
InChIKey
GTODBOQZPJHAAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59
TPSA
35.25
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
3.3
Consensus LogP
2.97
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly 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)
-1.89
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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