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CAS 936214-27-6 2-(Boc-aMino)-2-(1,2,3,4-tetrahydro-2-naphthyl)acetic Acid molecular structure lightbox
CAS RN: 936214-27-6

2-(Boc-aMino)-2-(1,2,3,4-tetrahydro-2-naphthyl)acetic Acid

  • Product code: SSC-207935
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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, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 936214-27-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

936214-27-6 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid

Standard CAS: 936214-27-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
936214-27-6
Multi CAS
No
Molecular Formula
C17H23NO4
Molecular Weight
305.400000
Exact Mass
305.162708
InChI
InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-14(15(19)20)13-9-8-11-6-4-5-7-12(11)10-13/h4-7,13-14H,8-10H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
JMGPFPCMFPOHHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.75
TPSA
75.63

LogP / Solubility

WLOGP
2.77
MLOGP
2.45
XLogP3
3.2
Consensus LogP
2.81
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
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
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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