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CAS 951127-35-8 5-Boc-3-Methyl-4,6-Dihydr… molecular structure lightbox
CAS RN: 951127-35-8

5-Boc-3-Methyl-4,6-Dihydr…

  • Product code: SSC-210345
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 951127-35-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

951127-35-8 / tert-butyl 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate

Standard CAS: 951127-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
951127-35-8
Multi CAS
No
Molecular Formula
C11H17N3O2
Molecular Weight
223.270000
Exact Mass
223.132077
InChI
InChI=1S/C11H17N3O2/c1-7-8-5-14(6-9(8)13-12-7)10(15)16-11(2,3)4/h5-6H2,1-4H3,(H,12,13)
InChIKey
QVAXHLTUZGFIBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.81
TPSA
58.22

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
0.9
Consensus LogP
1.54
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

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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