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CAS 6052-68-2 2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 6052-68-2

2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250420 1g / 5g / 10g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-169123
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 6052-68-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

6052-68-2 / 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Standard CAS: 6052-68-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6052-68-2
Multi CAS
Yes
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
InChI
InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)
InChIKey
FSNCEEGOMTYXKY-UHFFFAOYSA-N

Physical Properties

Melting Point
282 - 284 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
60.27
TPSA
65.12

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
-1.2
Consensus LogP
0.4
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.14

Drug-likeness / Medicinal Chemistry

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

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