CAS RN: 3764-94-1
5-CHLOROTRYPTAMINE HYDROCHLORIDE
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.20250517 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3764-94-1
- Purity/Analytical Methods: >99.0%
3764-94-1 / 2-(5-chloro-1H-indol-3-yl)ethanamine
Basic Information
CAS
3764-94-1
Multi CAS
Yes
Molecular Formula
C10H11CLN2
Molecular Weight
194.660000
Exact Mass
194.061076
InChI
InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
InChIKey
FVQKQPVVCKOWLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
56.07
TPSA
41.81
LogP / Solubility
WLOGP
2.32
MLOGP
2.04
XLogP3
1.2
Consensus LogP
1.85
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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