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CAS 27032-10-6 p-Chlorobenzyl azide solution molecular structure lightbox
CAS RN: 27032-10-6

p-Chlorobenzyl azide solution

  • Product code: SSC-125644
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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: 1g
  • 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 27032-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

27032-10-6 / 1-(azidomethyl)-4-chlorobenzene

Standard CAS: 27032-10-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27032-10-6
Multi CAS
No
Molecular Formula
C7H6ClN3
Molecular Weight
167.590000
Exact Mass
167.025025
SMILES
C1=CC(=CC=C1CN=[N+]=[N-])Cl
InChI
InChI=1S/C7H6ClN3/c8-7-3-1-6(2-4-7)5-10-11-9/h1-4H,5H2
InChIKey
JMTPIENQTKMREN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
44.3
TPSA
48.76

LogP / Solubility

WLOGP
3.15
MLOGP
2.77
XLogP3
3.4
Consensus LogP
3.11
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly 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)
-1.51

Drug-likeness / Medicinal Chemistry

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

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