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CAS 1082926-06-4 3-(3-BroMophenyl)pyrrolidine HCl molecular structure lightbox
CAS RN: 1082926-06-4

3-(3-BroMophenyl)pyrrolidine HCl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250124 250mg In stock Shanghai Inquiry
  • Product code: SSC-009616
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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: 0.25g
  • 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 1082926-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1082926-06-4 / 3-(3-bromophenyl)pyrrolidine

3-(3-BROMOPHENYL)PYRROLIDINE | MFCD09027610 | SCHEMBL25381551

Standard CAS: 1082926-06-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1082926-06-4
Multi CAS
No
Molecular Formula
C10H12BrN
Molecular Weight
226.110000
Exact Mass
225.015310
SMILES
C1CNCC1C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H12BrN/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9,12H,4-5,7H2
InChIKey
VSILMHOCUHKEQH-UHFFFAOYSA-N
Synonyms
3-(3-BROMOPHENYL)PYRROLIDINE MFCD09027610 SCHEMBL25381551 SCHEMBL28010971 SCHEMBL31252221

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.37
TPSA
12.03

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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