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CAS 1597407-56-1 Cobimetinib Impurity 2 molecular structure lightbox
CAS RN: 1597407-56-1

Cobimetinib Impurity 2

  • Product code: SSC-067706
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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 1597407-56-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1597407-56-1 / tert-butyl 3-hydroxy-3-[(2S)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-yl]azetidine-1-carboxylate

Standard CAS: 1597407-56-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1597407-56-1
Multi CAS
No
Molecular Formula
C21H32N2O4
Molecular Weight
376.500000
Exact Mass
376.236208
SMILES
CC(C)(C)OC(=O)N1CC(C1)([C@@H]2CCCCN2[C@H](CO)C3=CC=CC=C3)O
InChI
InChI=1S/C21H32N2O4/c1-20(2,3)27-19(25)22-14-21(26,15-22)18-11-7-8-12-23(18)17(13-24)16-9-5-4-6-10-16/h4-6,9-10,17-18,24,26H,7-8,11-15H2,1-3H3
InChIKey
DRBOJCULJIZLGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
103.37
TPSA
73.24

LogP / Solubility

WLOGP
2.56
MLOGP
2.27
XLogP3
1.9
Consensus LogP
2.24
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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