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CAS 3036-16-6 5-HYDROXYTRYPTAMINE OXALATE SALT molecular structure lightbox
CAS RN: 3036-16-6

5-HYDROXYTRYPTAMINE OXALATE SALT

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250211 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS3036-16-6
  • Purity/Analytical Methods: >99.0%
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3036-16-6 / 2-(5-hydroxy-1H-indol-1-ium-3-yl)ethylazanium;oxalate

Standard CAS: 3036-16-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3036-16-6
Multi CAS
Yes
Molecular Formula
C12H14N2O5
Molecular Weight
266.250000
Exact Mass
266.090272
InChI
InChI=1S/C10H12N2O.C2H2O4/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;3-1(4)2(5)6/h1-2,5-6,12-13H,3-4,11H2;(H,3,4)(H,5,6)
InChIKey
VTBOICJSERLVPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
60.06
TPSA
144.74

LogP / Solubility

WLOGP
-3.94
MLOGP
-3.46
XLogP3
-3.94
Consensus LogP
-3.78
Log S (ESOL)
0.89
Class (ESOL)
Highly soluble
Log S (Ali)
1.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.64
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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