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CAS 35186-98-2 7-HYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 35186-98-2

7-HYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35186-98-2
  • Purity/Analytical Methods: >99.0%
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35186-98-2 / (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Standard CAS: 35186-98-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35186-98-2
Multi CAS
Yes
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
InChI
InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)
InChIKey
HIKCRLDSCSWXML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.07
TPSA
69.56

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
-1.7
Consensus LogP
-0.26
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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