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CAS 1131604-99-3 5-bromo-4-chloropyridine-2,3-diamine molecular structure lightbox
CAS RN: 1131604-99-3

5-bromo-4-chloropyridine-2,3-diamine

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250627 100mg In stock Inquiry
Batchno.20250519 1g Out of stock Inquiry
Batchno.20250916 250mg In stock Inquiry
Batchno.20250322 5g In stock Inquiry
  • Product code: SSC-013333
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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: 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1131604-99-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

1131604-99-3 / 5-bromo-4-chloropyridine-2,3-diamine

5-Bromo-4-chloro-pyridine-2,3-diamine | 5-BROMO-4-CHLORO-2,3-PYRIDINEDIAMINE | RefChem:533676

Standard CAS: 1131604-99-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1131604-99-3
Multi CAS
No
Molecular Formula
C5H5BrClN3
Molecular Weight
222.470000
Exact Mass
220.935540
SMILES
C1=C(C(=C(C(=N1)N)N)Cl)Br
InChI
InChI=1S/C5H5BrClN3/c6-2-1-10-5(9)4(8)3(2)7/h1H,8H2,(H2,9,10)
InChIKey
IWPLIMBNUFTLIL-UHFFFAOYSA-N
Synonyms
5-Bromo-4-chloro-pyridine-2,3-diamine 5-BROMO-4-CHLORO-2,3-PYRIDINEDIAMINE RefChem:533676 822-373-6 5-bromo-4-chloropyridine-2,3-diamine

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
1.1
Consensus LogP
1.41
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
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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