CAS RN: 261764-92-5
1,3-BENZENEDIAMINE, 2-CHLORO-4-NITRO-
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.20260518 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-123243
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 0.1g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
261764-92-5 / 2-chloro-4-nitrobenzene-1,3-diamine
Basic Information
CAS
261764-92-5
Multi CAS
No
Molecular Formula
C6H6ClN3O2
Molecular Weight
187.580000
Exact Mass
187.014854
SMILES
C1=CC(=C(C(=C1N)Cl)N)[N+](=O)[O-]
InChI
InChI=1S/C6H6ClN3O2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H,8-9H2
InChIKey
NTLGTOMYCVBTHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.93
TPSA
95.18
LogP / Solubility
WLOGP
1.41
MLOGP
1.24
XLogP3
1.9
Consensus LogP
1.52
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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