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CAS 5778-62-1 9-CHLORO-1,2,3,4-TETRAHYDRO-7-METHYL-ACRIDINE molecular structure lightbox
CAS RN: 5778-62-1

9-CHLORO-1,2,3,4-TETRAHYDRO-7-METHYL-ACRIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250505 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5778-62-1
  • Purity/Analytical Methods: >99.0%
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5778-62-1 / 9-chloro-7-methyl-1,2,3,4-tetrahydroacridine

Standard CAS: 5778-62-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5778-62-1
Multi CAS
No
Molecular Formula
C14H14CLN
Molecular Weight
231.720000
Exact Mass
231.081477
InChI
InChI=1S/C14H14ClN/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3
InChIKey
WTHWSNJNZUUKBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.36
H-bond acceptors
1
Molar refractivity
68.13
TPSA
12.89

LogP / Solubility

WLOGP
4.08
MLOGP
3.59
XLogP3
4.4
Consensus LogP
4.02
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24

Drug-likeness / Medicinal Chemistry

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

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