CAS RN: 39300-45-3
Dinocap
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250128 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS39300-45-3
- Purity/Analytical Methods: >99.0%
39300-45-3 / (2,4-dinitro-6-octan-2-ylphenyl) but-2-enoate
Basic Information
CAS
39300-45-3
Multi CAS
Yes
Molecular Formula
C18H24N2O6
Molecular Weight
364.400000
Exact Mass
364.163436
InChI
InChI=1S/C10H9NO4.C8H18.HNO2/c1-2-5-10(12)15-9-7-4-3-6-8(9)11(13)14;1-3-5-7-8-6-4-2;2-1-3/h2-7H,1H3;3-8H2,1-2H3;(H,2,3)/b5-2+;;
InChIKey
ZVJZHLVSRSKTNE-OPIVVEOKSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
6
Molar refractivity
97.37
TPSA
112.58
LogP / Solubility
WLOGP
5.06
MLOGP
4.47
XLogP3
6
Consensus LogP
5.18
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.43
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
GALACTAN
- CAS RN: 39300-87-3
- Product Code: starshine_CAS39300-87-3
- Purity/Analytical method: >99.0%
-
-
-
NEUROTENSIN
- CAS RN: 39379-15-2
- Product Code: starshine_CAS39379-15-2
- Purity/Analytical method: >99.0%
-
Basic chromic sulfate
- CAS RN: 39380-78-4
- Product Code: starshine_CAS39380-78-4
- Purity/Analytical method: >99.0%
-
