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CAS 235095-05-3 1-azido-6-broMo-Hexane molecular structure lightbox
CAS RN: 235095-05-3

1-azido-6-broMo-Hexane

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260310 100mg In stock Shanghai Inquiry
Batchno.20250817 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250928 1g In stock Shanghai Inquiry
Batchno.20250930 250mg In stock Shanghai Inquiry
Batchno.20260314 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS235095-05-3
  • Purity/Analytical Methods: >99.0%
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235095-05-3 / 1-azido-6-bromohexane

Standard CAS: 235095-05-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
235095-05-3
Multi CAS
No
Molecular Formula
C6H12BrN3
Molecular Weight
206.080000
Exact Mass
205.021460
SMILES
C(CCCBr)CCN=[N+]=[N-]
InChI
InChI=1S/C6H12BrN3/c7-5-3-1-2-4-6-9-10-8/h1-6H2
InChIKey
MYGRYHPJWKOCDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
46.28
TPSA
48.76

LogP / Solubility

WLOGP
3.25
MLOGP
2.86
XLogP3
3.3
Consensus LogP
3.14
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly 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)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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