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CAS 856438-23-8 9H-Fluoren-9-ylmethyl N-(prop-2-en-1-yl)carbamate molecular structure lightbox
CAS RN: 856438-23-8

9H-Fluoren-9-ylmethyl N-(prop-2-en-1-yl)carbamate

  • Product code: SSC-194140
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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 856438-23-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

856438-23-8 / 9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate

Standard CAS: 856438-23-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
856438-23-8
Multi CAS
No
Molecular Formula
C18H17NO2
Molecular Weight
279.300000
Exact Mass
279.125929
InChI
InChI=1S/C18H17NO2/c1-2-11-19-18(20)21-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h2-10,17H,1,11-12H2,(H,19,20)
InChIKey
DUTZXTJPEKETHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.27
TPSA
38.33

LogP / Solubility

WLOGP
3.71
MLOGP
3.28
XLogP3
3.7
Consensus LogP
3.56
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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