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CAS 104839-00-1 (S)-N-BOC-2-AMINO-3-ETHOXY-PROPIONIC ACID molecular structure lightbox
CAS RN: 104839-00-1

(S)-N-BOC-2-AMINO-3-ETHOXY-PROPIONIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260627 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-006565
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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: 1g
  • Available purity: >95%
  • 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 104839-00-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

104839-00-1 / (2S)-3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

DTXSID20909243 | N-(tert-Butoxy(hydroxy)methylidene)-O-ethylserine | N-[tert-Butoxy(hydroxy)methylidene]-O-ethylserine

Standard CAS: 104839-00-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104839-00-1
Multi CAS
Yes
Molecular Formula
C10H19NO5
Molecular Weight
233.260000
Exact Mass
233.126323
SMILES
CCOC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO5/c1-5-15-6-7(8(12)13)11-9(14)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey
KNBDVSSESAKBJM-ZETCQYMHSA-N
Synonyms
DTXSID20909243 N-(tert-Butoxy(hydroxy)methylidene)-O-ethylserine N-[tert-Butoxy(hydroxy)methylidene]-O-ethylserine RefChem:1091469 DTXCID601338309

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.29
TPSA
84.86

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
0.8
Consensus LogP
0.89
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-3.43

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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