![CAS 190249-87-7 Carbamic acid, N-[2-[2-(aminooxy)ethoxy]ethoxy]-, 9H-fluoren-9-ylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/190249-87-7.gif)
CAS RN: 190249-87-7
Carbamic acid, N-[2-[2-(aminooxy)ethoxy]ethoxy]-, 9H-fluoren-9-ylmethyl ester
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251016 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS190249-87-7
- Purity/Analytical Methods: >99.0%
190249-87-7 / 9H-fluoren-9-ylmethyl N-[2-(2-aminooxyethoxy)ethoxy]carbamate
Basic Information
CAS
190249-87-7
Multi CAS
No
Molecular Formula
C19H22N2O5
Molecular Weight
358.400000
Exact Mass
358.152872
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NOCCOCCON
InChI
InChI=1S/C19H22N2O5/c20-25-11-9-23-10-12-26-21-19(22)24-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13,20H2,(H,21,22)
InChIKey
PJENKAHPGFOITB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
95.12
TPSA
92.04
LogP / Solubility
WLOGP
2.36
MLOGP
2.1
XLogP3
2.1
Consensus LogP
2.19
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
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)
-3.23
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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