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CAS 917202-02-9 3-{[(tert-butoxy)carbonyl](propan-2-yl)amino}propanoic acid molecular structure lightbox
CAS RN: 917202-02-9

3-{[(tert-butoxy)carbonyl](propan-2-yl)amino}propanoic acid

  • Product code: SSC-205123
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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 917202-02-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

917202-02-9 / 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid

Standard CAS: 917202-02-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
917202-02-9
Multi CAS
No
Molecular Formula
C11H21NO4
Molecular Weight
231.290000
Exact Mass
231.147058
InChI
InChI=1S/C11H21NO4/c1-8(2)12(7-6-9(13)14)10(15)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,13,14)
InChIKey
KKIAMBQPKZBCIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.33
TPSA
66.84

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
1.4
Consensus LogP
1.79
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.64

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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