CAS RN: 1841081-44-4
6-broMo-4-chloropyridine-2,3-diaMine
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.20260420 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1841081-44-4
- Purity/Analytical Methods: >99.0%
1841081-44-4 / 6-bromo-4-chloropyridine-2,3-diamine
Basic Information
CAS
1841081-44-4
Multi CAS
No
Molecular Formula
C5H5BrClN3
Molecular Weight
222.470000
Exact Mass
220.935540
SMILES
C1=C(C(=C(N=C1Br)N)N)Cl
InChI
InChI=1S/C5H5BrClN3/c6-3-1-2(7)4(8)5(9)10-3/h1H,8H2,(H2,9,10)
InChIKey
OKLXTQPMAGPOBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.77
TPSA
64.93
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
1.5
Consensus LogP
1.54
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately 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)
-2.9
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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