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CAS 140927-07-7 2-Azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, phenylMethyl ester molecular structure lightbox
CAS RN: 140927-07-7

2-Azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, phenylMethyl ester

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 100mg In stock Shenzhen Inquiry
Batchno.20260207 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250313 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250623 50mg Out of stock Inquiry
  • Product code: starshine_CAS140927-07-7
  • Purity/Analytical Methods: >99.0%
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140927-07-7 / benzyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

Standard CAS: 140927-07-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
140927-07-7
Multi CAS
No
Molecular Formula
C14H15NO2
Molecular Weight
229.270000
Exact Mass
229.110279
SMILES
C1C2CN(C1C=C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C14H15NO2/c16-14(15-9-12-6-7-13(15)8-12)17-10-11-4-2-1-3-5-11/h1-7,12-13H,8-10H2
InChIKey
NDKQMNWQGHSZMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.37
TPSA
29.54

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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