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CAS 1001070-25-2 Carbamic acid, N-(6-fluoro-2-pyridinyl)-, ethyl ester molecular structure lightbox
CAS RN: 1001070-25-2

Carbamic acid, N-(6-fluoro-2-pyridinyl)-, ethyl ester

  • Product code: SSC-000444
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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 1001070-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1001070-25-2 / ethyl N-(6-fluoro-2-pyridinyl)carbamate

1001070-25-2 | ethyl N-(6-fluoropyridin-2-yl)carbamate | (6-Fluoropyridin-2-yl)-carbamic acid ethyl ester

Standard CAS: 1001070-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1001070-25-2
Multi CAS
No
Molecular Formula
C8H9FN2O2
Molecular Weight
184.170000
Exact Mass
184.064806
SMILES
CCOC(=O)NC1=NC(=CC=C1)F
InChI
InChI=1S/C8H9FN2O2/c1-2-13-8(12)11-7-5-3-4-6(9)10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKey
HLZBDOHXDHOHIY-UHFFFAOYSA-N
Synonyms
1001070-25-2 ethyl N-(6-fluoropyridin-2-yl)carbamate (6-Fluoropyridin-2-yl)-carbamic acid ethyl ester Carbamic acid, N-(6-fluoro-2-pyridinyl)-, ethyl ester Ethyl (6-Fluoro-2-pyridyl)carbamate

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.84
TPSA
51.22

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
1.6
Consensus LogP
1.65
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.57

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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