CAS RN: 2231675-23-1
1-chloro-2-(cyclopropylmethoxy)-4-methyl-5-nitro-benzene
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.20250607 | 100mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-108854
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2231675-23-1 / 1-chloro-2-(cyclopropylmethoxy)-4-methyl-5-nitrobenzene
Basic Information
CAS
2231675-23-1
Multi CAS
No
Molecular Formula
C11H12ClNO3
Molecular Weight
241.670000
Exact Mass
241.050571
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])Cl)OCC2CC2
InChI
InChI=1S/C11H12ClNO3/c1-7-4-11(16-6-8-2-3-8)9(12)5-10(7)13(14)15/h4-5,8H,2-3,6H2,1H3
InChIKey
MCTXXVYMXYWIRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
61.06
TPSA
52.37
LogP / Solubility
WLOGP
3.35
MLOGP
2.95
XLogP3
3.5
Consensus LogP
3.27
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly 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)
-1.82
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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