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CAS 120042-12-8 DL-N-Boc-HoMoserine Methyl ester molecular structure lightbox
CAS RN: 120042-12-8

DL-N-Boc-HoMoserine Methyl ester

  • Product code: SSC-020839
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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: ≥97%
  • Inventory rows with stock: 8
  • 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 120042-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Beijing Inquiry
0.1g ≥97% 2 In Stock Shenzhen Inquiry
0.25g -- 2 In Stock Hong Kong Inquiry
0.25g ≥97% 2 In Stock Shenzhen Inquiry
1g -- 2 In Stock Shenzhen Inquiry
1g ≥97% 2 In Stock Beijing Inquiry
5g -- 2 In Stock Shenzhen Inquiry
5g ≥97% 2 In Stock Shanghai Inquiry

120042-12-8 / methyl 4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

N-BOC-DL-homoserine Methyl Ester | dl-n-boc-homoserine methyl ester | 2-tert-butoxycarbonylamino-4-hydroxy-butyric acid methyl ester

Standard CAS: 120042-12-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120042-12-8
Multi CAS
Yes
Molecular Formula
C10H19NO5
Molecular Weight
233.260000
Exact Mass
233.126323
SMILES
CC(C)(C)OC(=O)NC(CCO)C(=O)OC
InChI
InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-7(5-6-12)8(13)15-4/h7,12H,5-6H2,1-4H3,(H,11,14)
InChIKey
IWNVPOPPBRMFNG-UHFFFAOYSA-N
Synonyms
N-BOC-DL-homoserine Methyl Ester dl-n-boc-homoserine methyl ester 2-tert-butoxycarbonylamino-4-hydroxy-butyric acid methyl ester MFCD08704333 methyl 4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

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
0.6
Consensus LogP
0.48
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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