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CAS 210471-09-3 Z-D-Asp(OtBu)-OH, H2O molecular structure lightbox
CAS RN: 210471-09-3

Z-D-Asp(OtBu)-OH, H2O

  • Product code: SSC-100206
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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: 1g, 10g, 25g, 5g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 210471-09-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
10g ≥95% 5 In Stock Beijing Inquiry
25g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 4 In Stock Beijing Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

210471-09-3 / (2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid;hydrate

Standard CAS: 210471-09-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210471-09-3
Multi CAS
No
Molecular Formula
C16H23NO7
Molecular Weight
341.360000
Exact Mass
341.147452
SMILES
CC(C)(C)OC(=O)C[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.O
InChI
InChI=1S/C16H21NO6.H2O/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20);1H2/t12-;/m1./s1
InChIKey
UWDOQNWFLPMMLQ-UTONKHPSSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
85.26
TPSA
133.43

LogP / Solubility

WLOGP
1.27
MLOGP
1.14
XLogP3
1.27
Consensus LogP
1.23
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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