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CAS 1050161-23-3 6-BROMO-1,2,3,4-TETRAHYDROQUINOLINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1050161-23-3

6-BROMO-1,2,3,4-TETRAHYDROQUINOLINE HYDROCHLORIDE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251015 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260111 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batchno.20260123 250mg In stock Shanghai Inquiry
Batchno.20250725 25g In stock Shenzhen Inquiry
Batchno.20251002 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS1050161-23-3
  • Purity/Analytical Methods: >99.0%
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1050161-23-3 / 6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride

6-BROMO-1,2,3,4-TETRAHYDROQUINOLINE HYDROCHLORIDE | RefChem:540509 | 966-483-3

Standard CAS: 1050161-23-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1050161-23-3
Multi CAS
No
Molecular Formula
C9H11BrClN
Molecular Weight
248.550000
Exact Mass
246.976340
SMILES
C1CC2=C(C=CC(=C2)Br)NC1.Cl
InChI
InChI=1S/C9H10BrN.ClH/c10-8-3-4-9-7(6-8)2-1-5-11-9;/h3-4,6,11H,1-2,5H2;1H
InChIKey
FKCOBRNCTDQDBY-UHFFFAOYSA-N
Synonyms
6-BROMO-1,2,3,4-TETRAHYDROQUINOLINE HYDROCHLORIDE RefChem:540509 966-483-3 6-BROMO-1,2,3,4-TETRAHYDRO-QUINOLINE HYDROCHLORIDE MFCD07626398

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.2
TPSA
12.03

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
3.23
Consensus LogP
3.1
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-1.94

Drug-likeness / Medicinal Chemistry

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

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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