![CAS 15968-37-3 1,3,4,6-Tetrakis(butoxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3799-jpgcontextbwfzdgvyfhjvb3r8mtc1mjj8aw1hz2uvanblz3xontyvadjklzkxndq4mjm4mdgwmzavvdm3otkuanbnfge0mzm5ytq3mdawmta0ytkzmdu5nda3mmjkyte0mmi2nzrlmguzmjk1nzyxzmy3zdlkotbiowi2otg1nge4ymi.jpeg)
CAS RN: 15968-37-3
1,3,4,6-Tetrakis(butoxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
- Product code: SSC-067628
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 |
15968-37-3 / 1,3,4,6-tetrakis(butoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
Basic Information
CAS
15968-37-3
Multi CAS
No
Molecular Formula
C24H46N4O6
Molecular Weight
486.600000
Exact Mass
486.341735
SMILES
CCCCOCN1C2C(N(C1=O)COCCCC)N(C(=O)N2COCCCC)COCCCC
InChI
InChI=1S/C24H46N4O6/c1-5-9-13-31-17-25-21-22(27(23(25)29)19-33-15-11-7-3)28(20-34-16-12-8-4)24(30)26(21)18-32-14-10-6-2/h21-22H,5-20H2,1-4H3
InChIKey
UUOUGRUMSRMJHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.92
Rotatable bonds
20
H-bond acceptors
6
Molar refractivity
128.63
TPSA
84.02
LogP / Solubility
WLOGP
4.21
MLOGP
3.74
XLogP3
3.9
Consensus LogP
3.95
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.72
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H350 (100%): May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501
