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CAS 15657-91-7 2-(9H-Carbazol-9-yl)ethyl methacrylate molecular structure lightbox
CAS RN: 15657-91-7

2-(9H-Carbazol-9-yl)ethyl methacrylate

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINH905559
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15657-91-7 / 2-carbazol-9-ylethyl 2-methylprop-2-enoate

Standard CAS: 15657-91-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15657-91-7
Multi CAS
No
Molecular Formula
C18H17NO2
Molecular Weight
279.300000
Exact Mass
279.125929
SMILES
CC(=C)C(=O)OCCN1C2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C18H17NO2/c1-13(2)18(20)21-12-11-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10H,1,11-12H2,2H3
InChIKey
PCRXBGQWYLIHKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
13
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
85.22
TPSA
31.23

LogP / Solubility

WLOGP
3.91
MLOGP
3.45
XLogP3
4.1
Consensus LogP
3.82
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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