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CAS 136703-59-8 Butanoic acid, 3-[[(1,1-diMethylethoxy)carbonyl]aMino]-4-hydroxy-, Methyl ester, (3S)- molecular structure lightbox
CAS RN: 136703-59-8

Butanoic acid, 3-[[(1,1-diMethylethoxy)carbonyl]aMino]-4-hydroxy-, Methyl ester, (3S)-

  • Product code: SSC-045724
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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: 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 136703-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 3 In Stock Hong Kong Inquiry

136703-59-8 / methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Standard CAS: 136703-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136703-59-8
Multi CAS
No
Molecular Formula
C10H19NO5
Molecular Weight
233.260000
Exact Mass
233.126323
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)OC)CO
InChI
InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-7(6-12)5-8(13)15-4/h7,12H,5-6H2,1-4H3,(H,11,14)/t7-/m0/s1
InChIKey
ZZDVXWXHEXVLNH-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
56.88
TPSA
84.86

LogP / Solubility

WLOGP
0.44
MLOGP
0.39
XLogP3
0.1
Consensus LogP
0.31
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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