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CAS 1179360-60-1 3-BroMopicoliniMidaMide hydrochloride molecular structure lightbox
CAS RN: 1179360-60-1

3-BroMopicoliniMidaMide hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250105 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-017775
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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: 5g
  • 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 1179360-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1179360-60-1 / 3-bromopyridine-2-carboximidamide;hydrochloride

3-bromopicolinimidamide hydrochloride | 3-Bromopyridine-2-carboximidamide;hydrochloride | MFCD12755611

Standard CAS: 1179360-60-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1179360-60-1
Multi CAS
Yes
Molecular Formula
C6H7BrClN3
Molecular Weight
236.500000
Exact Mass
234.951190
SMILES
C1=CC(=C(N=C1)C(=N)N)Br.Cl
InChI
InChI=1S/C6H6BrN3.ClH/c7-4-2-1-3-10-5(4)6(8)9;/h1-3H,(H3,8,9);1H
InChIKey
NOLDHUMYCPCWAQ-UHFFFAOYSA-N
Synonyms
3-bromopicolinimidamide hydrochloride 3-Bromopyridine-2-carboximidamide;hydrochloride MFCD12755611 3-BROMOPYRIDINE-2-CARBOXIMIDAMIDE HYDROCHLORIDE SCHEMBL5730020

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.2
TPSA
62.76

LogP / Solubility

WLOGP
1.55
MLOGP
1.37
XLogP3
1.55
Consensus LogP
1.49
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-3.06

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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