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CAS 1203683-81-1 3-(3-broMophenyl)azetidine hcl molecular structure lightbox
CAS RN: 1203683-81-1

3-(3-broMophenyl)azetidine hcl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250130 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-021291
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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 1203683-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1203683-81-1 / 3-(3-bromophenyl)azetidine;hydrochloride

3-(3-Bromophenyl)azetidine hydrochloride | 3-(3-BROMOPHENYL)AZETIDINE HCL | MFCD11223581

Standard CAS: 1203683-81-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1203683-81-1
Multi CAS
No
Molecular Formula
C9H11BrClN
Molecular Weight
248.550000
Exact Mass
246.976340
SMILES
C1C(CN1)C2=CC(=CC=C2)Br.Cl
InChI
InChI=1S/C9H10BrN.ClH/c10-9-3-1-2-7(4-9)8-5-11-6-8;/h1-4,8,11H,5-6H2;1H
InChIKey
NVZYTUNGTQYOOI-UHFFFAOYSA-N
Synonyms
3-(3-Bromophenyl)azetidine hydrochloride 3-(3-BROMOPHENYL)AZETIDINE HCL MFCD11223581 3-(3-bromophenyl)azetidine;hydrochloride Azetidine, 3-(3-bromophenyl)-, hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57
TPSA
12.03

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
2.56
Consensus LogP
2.46
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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