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CAS 102507-13-1 N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID molecular structure lightbox
CAS RN: 102507-13-1

N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-003760
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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, 0.1g, 0.25g, 5g, 10g
  • 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 102507-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

102507-13-1 / (2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxy-3-methylbutanoic acid | (2S)-2-(((tert-butoxy)carbonyl)amino)-3-hydroxy-3-methylbutanoic acid | RefChem:397996

Standard CAS: 102507-13-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102507-13-1
Multi CAS
Yes
Molecular Formula
C10H19NO5
Molecular Weight
233.260000
Exact Mass
233.126323
SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)O
InChI
InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1
InChIKey
SZVRVSZFEDIMFM-ZCFIWIBFSA-N
Synonyms
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxy-3-methylbutanoic acid (2S)-2-(((tert-butoxy)carbonyl)amino)-3-hydroxy-3-methylbutanoic acid RefChem:397996 676-409-9 (S)-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-3-methylbutanoic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
57.09
TPSA
95.86

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.5
Consensus LogP
0.63
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-3.62

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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