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CAS 104839-08-9 BOC-HOMOSER(ME)-OH molecular structure lightbox
CAS RN: 104839-08-9

BOC-HOMOSER(ME)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250321 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-006566
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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 104839-08-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

104839-08-9 / (2S)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

(S)-2-((tert-Butoxycarbonyl)amino)-4-methoxybutanoic acid | N-Boc-O-methyl-L-homoserine | Boc-homoSer(Me)-OH

Standard CAS: 104839-08-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104839-08-9
Multi CAS
Yes
Molecular Formula
C10H19NO5
Molecular Weight
233.260000
Exact Mass
233.126323
SMILES
CC(C)(C)OC(=O)N[C@@H](CCOC)C(=O)O
InChI
InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-7(8(12)13)5-6-15-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey
ITXBKRHPHSTADP-ZETCQYMHSA-N
Synonyms
(S)-2-((tert-Butoxycarbonyl)amino)-4-methoxybutanoic acid N-Boc-O-methyl-L-homoserine Boc-homoSer(Me)-OH MFCD00270513 N-(tert-butoxycarbonyl)-O-methyl-L-homoserine

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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