CAS RN: 141184-34-1
WAY-PDA 641
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS141184-34-1
- Purity/Analytical Methods: >99.0%
141184-34-1 / [(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate
Basic Information
CAS
141184-34-1
Multi CAS
No
Molecular Formula
C15H20N2O4
Molecular Weight
292.330000
Exact Mass
292.142307
SMILES
C/C(=N\OC(=O)N)/C1=CC(=C(C=C1)OC)OC2CCCC2
InChI
InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+
InChIKey
STTRYQAGHGJXJJ-LICLKQGHSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.76
TPSA
83.14
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
2.6
Consensus LogP
2.65
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
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
Customers Also Viewed
-
5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine(SALTDATA: FREE)
- CAS RN: 141187-32-8
- Product Code: SSC-051614
-
-
sodium (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl] amino]-8-oxo-3-[(2S)-oxolan-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene- 2-carboxylate
- CAS RN: 141195-77-9
- Product Code: starshine_CAS141195-77-9
- Purity/Analytical method: >99.0%
-
-
-
DL-2-(2-Chlorophenyl)glycine
- CAS RN: 141196-64-7
- Product Code: starshine_CAS141196-64-7
- Purity/Analytical method: >99.0%
![CAS 141195-77-9 sodium (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl] amino]-8-oxo-3-[(2S)-oxolan-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene- 2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/141195-77-9.gif)
