[email protected]
CAS 106860-20-2 CILAZAPRIL molecular structure lightbox
CAS RN: 106860-20-2

CILAZAPRIL

  • Product code: SSC-008355
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: 1g
  • 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 106860-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

106860-20-2 / tert-butyl (4S,7S)-7-amino-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate

(1S,9S)-t-butyl 9-amino-octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate | tert-butyl (4S,7S)-7-amino-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate | VEHCGRZUQHIHEU-QWRGUYRKSA-N

Standard CAS: 106860-20-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106860-20-2
Multi CAS
Yes
Molecular Formula
C14H25N3O3
Molecular Weight
283.370000
Exact Mass
283.189592
SMILES
CC(C)(C)OC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2)N
InChI
InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)11-7-5-9-16-8-4-6-10(15)12(18)17(11)16/h10-11H,4-9,15H2,1-3H3/t10-,11-/m0/s1
InChIKey
VEHCGRZUQHIHEU-QWRGUYRKSA-N
Synonyms
(1S,9S)-t-butyl 9-amino-octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate tert-butyl (4S,7S)-7-amino-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate VEHCGRZUQHIHEU-QWRGUYRKSA-N SCHEMBL949486 MFCD18252196

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.5
TPSA
75.87

LogP / Solubility

WLOGP
0.66
MLOGP
0.59
XLogP3
1
Consensus LogP
0.75
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us