CAS RN: 147687-06-7
(9H-Fluoren-9-yl)methyl methyl(2-oxoethyl)carbamate
- Product code: SSC-058230
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
147687-06-7 / 9H-fluoren-9-ylmethyl N-methyl-N-(2-oxoethyl)carbamate
Basic Information
CAS
147687-06-7
Multi CAS
No
Molecular Formula
C18H17NO3
Molecular Weight
295.300000
Exact Mass
295.120843
SMILES
CN(CC=O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C18H17NO3/c1-19(10-11-20)18(21)22-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,11,17H,10,12H2,1H3
InChIKey
MEKHYFIFCBVDTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
83.76
TPSA
46.61
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
2.8
Consensus LogP
2.86
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 147687-17-0 9-Benxyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147687-17-0.gif)
