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CAS 115141-43-0 H-D-Thr(tBu)-OMe.HCl molecular structure lightbox
CAS RN: 115141-43-0

H-D-Thr(tBu)-OMe.HCl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014841
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115141-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

115141-43-0 / methyl (2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride

H-D-Thr(tBu)-OMe.HCl | H-D-THR(TBU)-OME HCL | MFCD00237278

Standard CAS: 115141-43-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115141-43-0
Multi CAS
Yes
Molecular Formula
C9H20ClNO3
Molecular Weight
225.710000
Exact Mass
225.113171
SMILES
C[C@@H]([C@H](C(=O)OC)N)OC(C)(C)C.Cl
InChI
InChI=1S/C9H19NO3.ClH/c1-6(13-9(2,3)4)7(10)8(11)12-5;/h6-7H,10H2,1-5H3;1H/t6-,7+;/m0./s1
InChIKey
SDHKEUUZUMQSAD-UOERWJHTSA-N
Synonyms
H-D-Thr(tBu)-OMe.HCl H-D-THR(TBU)-OME HCL MFCD00237278 D-Threonine, O-(1,1-dimethylethyl)-, methyl ester, hydrochloride (1:1) O-(tert-Butyl)-D-threonine Methyl Ester Hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.54
TPSA
61.55

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
1.11
Consensus LogP
1.07
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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