CAS RN: 1203681-69-9
3-(3-BroMophenyl)pyrrolidine hcl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250410 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-021266
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 1 In Stock | Beijing | Inquiry |
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 1g | >95% | 0 Out of Stock | Beijing | Inquiry |
1203681-69-9 / 3-(3-bromophenyl)pyrrolidine;hydrochloride
3-(3-Bromophenyl)pyrrolidine hydrochloride | RefChem:491814 | 860-056-4
Basic Information
CAS
1203681-69-9
Multi CAS
No
Molecular Formula
C10H13BrClN
Molecular Weight
262.570000
Exact Mass
260.991990
SMILES
C1CNCC1C2=CC(=CC=C2)Br.Cl
InChI
InChI=1S/C10H12BrN.ClH/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;/h1-3,6,9,12H,4-5,7H2;1H
InChIKey
ZUDAIKHDAZMDQW-UHFFFAOYSA-N
Synonyms
3-(3-Bromophenyl)pyrrolidine hydrochloride
RefChem:491814
860-056-4
3-(3-bromophenyl)pyrrolidine HCl
MFCD11223591
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.62
TPSA
12.03
LogP / Solubility
WLOGP
2.95
MLOGP
2.6
XLogP3
2.95
Consensus LogP
2.83
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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