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CAS 315203-39-5 1-(2,6-DICHLORO-BENZYL)-3-PYRROLIDIN-1-YLMETHYL-1H-INDAZOL-6-YLAMINE molecular structure lightbox
CAS RN: 315203-39-5

1-(2,6-DICHLORO-BENZYL)-3-PYRROLIDIN-1-YLMETHYL-1H-INDAZOL-6-YLAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250501 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS315203-39-5
  • Purity/Analytical Methods: >99.0%
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315203-39-5 / 1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-amine

Standard CAS: 315203-39-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
315203-39-5
Multi CAS
No
Molecular Formula
C19H20CL2N4
Molecular Weight
375.300000
Exact Mass
374.106502
InChI
InChI=1S/C19H20Cl2N4/c20-16-4-3-5-17(21)15(16)11-25-19-10-13(22)6-7-14(19)18(23-25)12-24-8-1-2-9-24/h3-7,10H,1-2,8-9,11-12,22H2
InChIKey
RPIVQHHCHQAMGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
104.22
TPSA
47.08

LogP / Solubility

WLOGP
4.57
MLOGP
4.04
XLogP3
4.1
Consensus LogP
4.24
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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