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CAS 91177-57-0 BOC-D-METHIONINOL molecular structure lightbox
CAS RN: 91177-57-0

BOC-D-METHIONINOL

  • Product code: SSC-204046
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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: 5g
  • 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 91177-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

91177-57-0 / tert-butyl N-(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamate

Standard CAS: 91177-57-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91177-57-0
Multi CAS
Yes
Molecular Formula
C10H21NO3S
Molecular Weight
235.350000
Exact Mass
235.124215
InChI
InChI=1S/C10H21NO3S/c1-10(2,3)14-9(13)11-8(7-12)5-6-15-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m1/s1
InChIKey
IPIBDQMAIDPJBU-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.24
TPSA
58.56

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
1.3
Consensus LogP
1.45
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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

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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