CAS RN: 4102-38-9
2,4-DIMETHYL-1-IODO-5-NITROBENZENE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260407 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20260411 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250623 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260227 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250305 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS4102-38-9
- Purity/Analytical Methods: >99.0%
4102-38-9 / 1-iodo-2,4-dimethyl-5-nitrobenzene
Basic Information
CAS
4102-38-9
Multi CAS
No
Molecular Formula
C8H8InO2
Molecular Weight
277.060000
Exact Mass
276.959980
InChI
InChI=1S/C8H8INO2/c1-5-3-6(2)8(10(11)12)4-7(5)9/h3-4H,1-2H3
InChIKey
NDZIFBPJALJOPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.29
TPSA
43.14
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
3.1
Consensus LogP
2.8
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS4102-60-7
- Purity/Analytical method: >99.0%
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