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CAS 3850-40-6 Serine, N-[(1,1-dimethylethoxy)carbonyl]- (9CI) molecular structure lightbox
CAS RN: 3850-40-6

Serine, N-[(1,1-dimethylethoxy)carbonyl]- (9CI)

  • Product code: SSC-146153
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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: 25g
  • 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 3850-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

3850-40-6 / 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 3850-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3850-40-6
Multi CAS
No
Molecular Formula
C8H15NO5
Molecular Weight
205.210000
Exact Mass
205.095023
InChI
InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)
InChIKey
FHOAKXBXYSJBGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
47.88
TPSA
95.86

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.04
XLogP3
-0.1
Consensus LogP
-0.06
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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)
-4

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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