CAS RN: 17576-39-5
Ethylcarbamic acid phenyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250611 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS17576-39-5
- Purity/Analytical Methods: >99.0%
17576-39-5 / phenyl N-ethylcarbamate
Basic Information
CAS
17576-39-5
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
SMILES
CCNC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C9H11NO2/c1-2-10-9(11)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
InChIKey
KZMHCQUAMFYNRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.14
TPSA
38.33
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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