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CAS 72130-68-8 ethyl 7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylate molecular structure lightbox
CAS RN: 72130-68-8

ethyl 7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylate

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251004 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20251120 1g Out of stock Inquiry
Batchno.20250803 250mg Out of stock Inquiry
Batchno.20260610 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS72130-68-8
  • Purity/Analytical Methods: >99.0%
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72130-68-8 / ethyl 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

Standard CAS: 72130-68-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72130-68-8
Multi CAS
Yes
Molecular Formula
C11H13NO4
Molecular Weight
223.220000
Exact Mass
223.084458
InChI
InChI=1S/C11H13NO4/c1-2-16-11(15)10-7-4-3-5-12(7)9(14)6-8(10)13/h6,13H,2-5H2,1H3
InChIKey
NWSKLPDPUFBJDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.64
TPSA
68.53

LogP / Solubility

WLOGP
0.68
MLOGP
0.6
XLogP3
0.6
Consensus LogP
0.63
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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