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CAS 57916-10-6 L-SALSOLINOL HYDROCHLORIDE) molecular structure lightbox
CAS RN: 57916-10-6

L-SALSOLINOL HYDROCHLORIDE)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251011 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS57916-10-6
  • Purity/Analytical Methods: >99.0%
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57916-10-6 / 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride

Standard CAS: 57916-10-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57916-10-6
Multi CAS
Yes
Molecular Formula
C10H14CLNO2
Molecular Weight
215.670000
Exact Mass
215.071306
InChI
InChI=1S/C10H13NO2.ClH/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6;/h4-6,11-13H,2-3H2,1H3;1H/t6-;/m0./s1
InChIKey
WSVCGYSRZYNJMC-RGMNGODLSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
57.14
TPSA
52.49

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.73
Consensus LogP
1.66
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately 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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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