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CAS 14236-02-3 isopropyl (hydroxymethyl)-carbamate molecular structure lightbox
CAS RN: 14236-02-3

isopropyl (hydroxymethyl)-carbamate

  • Product code: SSC-053220
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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 14236-02-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

14236-02-3 / propan-2-yl N-(hydroxymethyl)carbamate

Standard CAS: 14236-02-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14236-02-3
Multi CAS
No
Molecular Formula
C5H11NO3
Molecular Weight
133.150000
Exact Mass
133.073893
SMILES
CC(C)OC(=O)NCO
InChI
InChI=1S/C5H11NO3/c1-4(2)9-5(8)6-3-7/h4,7H,3H2,1-2H3,(H,6,8)
InChIKey
DDAPWCYXRCDPQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
31.84
TPSA
58.56

LogP / Solubility

WLOGP
0.07
MLOGP
0.05
XLogP3
0.2
Consensus LogP
0.11
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very 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)
-3.48

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
1.5

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