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CAS 887577-30-2 1-HYDROXYCYCLOPROPYLMETHYL CARBAMIC ACID T-BUTYL ESTER molecular structure lightbox
CAS RN: 887577-30-2

1-HYDROXYCYCLOPROPYLMETHYL CARBAMIC ACID T-BUTYL ESTER

  • Product code: SSC-200343
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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: 0.25g, 1g, 5g
  • 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 887577-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

887577-30-2 / tert-butyl N-[(1-hydroxycyclopropyl)methyl]carbamate

Standard CAS: 887577-30-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
887577-30-2
Multi CAS
Yes
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
InChI
InChI=1S/C9H17NO3/c1-8(2,3)13-7(11)10-6-9(12)4-5-9/h12H,4-6H2,1-3H3,(H,10,11)
InChIKey
VMVAZNHAQXIGMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.42
TPSA
58.56

LogP / Solubility

WLOGP
1.04
MLOGP
0.91
XLogP3
0.6
Consensus LogP
0.85
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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