[email protected]
CAS 119812-51-0 Phthalimide DBU Salt molecular structure lightbox
CAS RN: 119812-51-0

Phthalimide DBU Salt

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251005 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251111 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250804 500g Out of stock Inquiry
Batchno.20250305 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-020577
GET A QUOTE
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: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 119812-51-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

119812-51-0 / isoindole-1,3-dione;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine

Phthalimide DBU salt | RefChem:863042 | 679-680-1

Standard CAS: 119812-51-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119812-51-0
Multi CAS
Yes
Molecular Formula
C17H21N3O2
Molecular Weight
299.370000
Exact Mass
299.163377
SMILES
C1CCC2=NCCCN2CC1.C1=CC=C2C(=C1)C(=O)NC2=O
InChI
InChI=1S/C9H16N2.C8H5NO2/c1-2-5-9-10-6-4-8-11(9)7-3-1;10-7-5-3-1-2-4-6(5)8(11)9-7/h1-8H2;1-4H,(H,9,10,11)
InChIKey
BLFUSYFCQXDQCF-UHFFFAOYSA-N
Synonyms
Phthalimide DBU salt RefChem:863042 679-680-1 phthalimidedbusalt MFCD00191683

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.47
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.2
TPSA
61.77

LogP / Solubility

WLOGP
2.23
MLOGP
1.98
XLogP3
2.23
Consensus LogP
2.15
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly 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)
-2.96

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
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Customers Also Viewed

Get In Touch

Contact Us