![CAS 13684-44-1 (3-Methylphenyl)carbamic acid 3-[(ethoxycarbonyl)amino]phenyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13684-44-1.gif)
CAS RN: 13684-44-1
(3-Methylphenyl)carbamic acid 3-[(ethoxycarbonyl)amino]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.20250227 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS13684-44-1
- Purity/Analytical Methods: >99.0%
13684-44-1 / [3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate
Basic Information
CAS
13684-44-1
Multi CAS
No
Molecular Formula
C17H18N2O4
Molecular Weight
314.340000
Exact Mass
314.126657
SMILES
CCOC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC=CC(=C2)C
InChI
InChI=1S/C17H18N2O4/c1-3-22-16(20)18-14-8-5-9-15(11-14)23-17(21)19-13-7-4-6-12(2)10-13/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
MVEFZZKZBYQFPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
87.91
TPSA
76.66
LogP / Solubility
WLOGP
4.17
MLOGP
3.69
XLogP3
4
Consensus LogP
3.95
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501
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BIS(4-METHOXYPHENYL)CHLOROPHOSPHINE
- CAS RN: 13685-30-8
- Product Code: starshine_CAS13685-30-8
- Purity/Analytical method: >99.0%
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