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CAS 204191-40-2 BOC-SER-OH H2O molecular structure lightbox
CAS RN: 204191-40-2

BOC-SER-OH H2O

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 25g / 100g / 500g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-096051
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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: 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • 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 204191-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 5 In Stock Shenzhen Inquiry
25g ≥98% 5 In Stock Shenzhen Inquiry
100g ≥98% 4 In Stock Hong Kong Inquiry
500g ≥98% 2 In Stock Beijing Inquiry

204191-40-2 / (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrate

Standard CAS: 204191-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204191-40-2
Multi CAS
No
Molecular Formula
C8H17NO6
Molecular Weight
223.220000
Exact Mass
223.105587
SMILES
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)O.O
InChI
InChI=1S/C8H15NO5.H2O/c1-8(2,3)14-7(13)9-5(4-10)6(11)12;/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12);1H2/t5-;/m0./s1
InChIKey
JLIWGTMHYWJUPM-JEDNCBNOSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
51.49
TPSA
127.36

LogP / Solubility

WLOGP
-0.87
MLOGP
-0.76
XLogP3
-0.87
Consensus LogP
-0.83
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.7

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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