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CAS 6027-98-1 HARMALINE HYDROCHLORIDE DIHYDRATE, Analytical reference molecular structure lightbox
CAS RN: 6027-98-1

HARMALINE HYDROCHLORIDE DIHYDRATE, Analytical reference

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 20mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-168837
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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: 1g
  • Available purity: ≥95%
  • 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 6027-98-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

6027-98-1 / 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;dihydrate;hydrochloride

Standard CAS: 6027-98-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6027-98-1
Multi CAS
Yes
Molecular Formula
C13H19CLN2O3
Molecular Weight
286.750000
Exact Mass
286.108420
InChI
InChI=1S/C13H14N2O.ClH.2H2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;;/h3-4,7,15H,5-6H2,1-2H3;1H;2*1H2
InChIKey
LCEKUHFBUFUSSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
80.11
TPSA
100.38

LogP / Solubility

WLOGP
1.31
MLOGP
1.17
XLogP3
1.31
Consensus LogP
1.26
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54

Drug-likeness / Medicinal Chemistry

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

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