[email protected]
CAS 1214741-19-1 3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde molecular structure lightbox
CAS RN: 1214741-19-1

3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 100mg Out of stock Inquiry
Batchno.20250310 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260106 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1214741-19-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1214741-19-1 / (3R,7aR)-3-tert-butyl-1,5-dioxo-6,7-dihydro-3H-pyrrolo[1,2-c][1,3]oxazole-7a-carbaldehyde

Standard CAS: 1214741-19-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1214741-19-1
Multi CAS
No
Molecular Formula
C11H15NO4
Molecular Weight
225.240000
Exact Mass
225.100108
SMILES
CC(C)(C)[C@@H]1N2C(=O)CC[C@]2(C(=O)O1)C=O
InChI
InChI=1S/C11H15NO4/c1-10(2,3)8-12-7(14)4-5-11(12,6-13)9(15)16-8/h6,8H,4-5H2,1-3H3/t8-,11-/m1/s1
InChIKey
PBHXYYXEZQXDLB-LDYMZIIASA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
54.21
TPSA
63.68

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.9
Consensus LogP
0.6
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
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)
-3.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us