CAS RN: 83507-70-4
2-((4-METHOXYPHENYLAMINO)METHYLENE)MALONIC ACID DIETHYL ESTER
- Product code: SSC-191315
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
83507-70-4 / diethyl 2-[(4-methoxyanilino)methylidene]propanedioate
Basic Information
CAS
83507-70-4
Multi CAS
No
Molecular Formula
C15H19NO5
Molecular Weight
293.310000
Exact Mass
293.126323
InChI
InChI=1S/C15H19NO5/c1-4-20-14(17)13(15(18)21-5-2)10-16-11-6-8-12(19-3)9-7-11/h6-10,16H,4-5H2,1-3H3
InChIKey
JBQNXIFJGSBDQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
77.97
TPSA
73.86
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
3.2
Consensus LogP
2.4
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
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
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- CAS RN: 83508-61-6
- Product Code: starshine_CAS83508-61-6
- Purity/Analytical method: >99.0%
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