CAS RN: 139520-94-8
PROCHLORAZ DESIMIDAZOLE‐AMINO STANDARD
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.20260428 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS139520-94-8
- Purity/Analytical Methods: >99.0%
139520-94-8 / 1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea
Basic Information
CAS
139520-94-8
Multi CAS
No
Molecular Formula
C12H15Cl3N2O2
Molecular Weight
325.600000
Exact Mass
324.019911
SMILES
CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N
InChI
InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)
InChIKey
MPNJTIZLDHWBFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.41
TPSA
55.56
LogP / Solubility
WLOGP
3.82
MLOGP
3.37
XLogP3
3.8
Consensus LogP
3.66
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 139524-58-6 8-(BENZYLOXYCARBONYL)-1,4-DIOXA-8-AZASPIRO[4.5]DECANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/139524-58-6.gif)
