CAS RN: 287729-03-7
tert-butyl allyl(1,3-dioxoisoindolin-2-yl)carbaMate
- Product code: SSC-130466
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 | Hong Kong | Inquiry |
287729-03-7 / tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylcarbamate
Basic Information
CAS
287729-03-7
Multi CAS
No
Molecular Formula
C16H18N2O4
Molecular Weight
302.320000
Exact Mass
302.126657
InChI
InChI=1S/C16H18N2O4/c1-5-10-17(15(21)22-16(2,3)4)18-13(19)11-8-6-7-9-12(11)14(18)20/h5-9H,1,10H2,2-4H3
InChIKey
GUOIXZLQUVKGAN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
80.08
TPSA
66.92
LogP / Solubility
WLOGP
2.62
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.51
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
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
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
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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5-BROMO-7-(5-BROMO-2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-7-YL)-2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE
- CAS RN: 287924-56-5
- Product Code: starshine_CAS287924-56-5
- Purity/Analytical method: >99.0%
![CAS 287924-56-5 5-BROMO-7-(5-BROMO-2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-7-YL)-2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/287924-56-5.png)