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CAS 474645-98-2 N-tert-Butoxycarbonyl (R)-2-Aminobutan-1-ol Methanesulfonic Acid molecular structure lightbox
CAS RN: 474645-98-2

N-tert-Butoxycarbonyl (R)-2-Aminobutan-1-ol Methanesulfonic Acid

  • Product code: SSC-154393
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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 474645-98-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

474645-98-2 / [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] methanesulfonate

Standard CAS: 474645-98-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
474645-98-2
Multi CAS
Yes
Molecular Formula
C10H21NO5S
Molecular Weight
267.340000
Exact Mass
267.114044
InChI
InChI=1S/C10H21NO5S/c1-6-8(7-15-17(5,13)14)11-9(12)16-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m1/s1
InChIKey
KJZHEULQLNAULU-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.24
TPSA
81.7

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
1.3
Consensus LogP
1.23
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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