CAS RN: 1326310-78-4
4,6-DIBROMO-3-METHYL-2-NITROANILINE(WX191988)
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.20250824 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1326310-78-4
- Purity/Analytical Methods: >99.0%
1326310-78-4 / 4,6-dibromo-3-methyl-2-nitroaniline
Basic Information
CAS
1326310-78-4
Multi CAS
No
Molecular Formula
C7H6Br2N2O2
Molecular Weight
309.940000
Exact Mass
309.877550
SMILES
CC1=C(C(=C(C=C1Br)Br)N)[N+](=O)[O-]
InChI
InChI=1S/C7H6Br2N2O2/c1-3-4(8)2-5(9)6(10)7(3)11(12)13/h2H,10H2,1H3
InChIKey
SVRROOZRCWBWDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.65
TPSA
69.16
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
3.4
Consensus LogP
3.02
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
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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