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CAS 1370651-32-3 (R)-Bi(tert-butyl)(6-chloro-4-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridazin-3-yl)carbaMate molecular structure lightbox
CAS RN: 1370651-32-3

(R)-Bi(tert-butyl)(6-chloro-4-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridazin-3-yl)carbaMate

  • Product code: SSC-046602
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1370651-32-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 3 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1370651-32-3 / tert-butyl N-[6-chloro-4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Standard CAS: 1370651-32-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1370651-32-3
Multi CAS
No
Molecular Formula
C22H25Cl3FN3O5
Molecular Weight
536.800000
Exact Mass
535.084382
SMILES
C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=CC(=NN=C2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cl
InChI
InChI=1S/C22H25Cl3FN3O5/c1-11(16-12(23)8-9-13(26)17(16)25)32-14-10-15(24)27-28-18(14)29(19(30)33-21(2,3)4)20(31)34-22(5,6)7/h8-11H,1-7H3/t11-/m1/s1
InChIKey
YUALQRHCHQVERJ-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
127.45
TPSA
90.85

LogP / Solubility

WLOGP
7.39
MLOGP
6.55
XLogP3
6.3
Consensus LogP
6.75
Log S (ESOL)
-7.82
Class (ESOL)
Insoluble
Log S (Ali)
-9.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.75

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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