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CAS 91103-37-6 (S)-tert-butyl 1-hydroxybut-3-en-2-ylcarbamate molecular structure lightbox
CAS RN: 91103-37-6

(S)-tert-butyl 1-hydroxybut-3-en-2-ylcarbamate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-203931
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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: ＞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 91103-37-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

91103-37-6 / tert-butyl N-[(2S)-1-hydroxybut-3-en-2-yl]carbamate

Standard CAS: 91103-37-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91103-37-6
Multi CAS
Yes
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
InChI
InChI=1S/C9H17NO3/c1-5-7(6-11)10-8(12)13-9(2,3)4/h5,7,11H,1,6H2,2-4H3,(H,10,12)/t7-/m0/s1
InChIKey
HYVYNSIWYIWTCK-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.44
TPSA
58.56

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.96
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-3.11

Drug-likeness / Medicinal Chemistry

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

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