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CAS 535169-98-3 1H-Furo[3,4-c]pyrrole-4-carboxylicacid,3,5-dihydro-,ethylester(9CI) molecular structure lightbox
CAS RN: 535169-98-3

1H-Furo[3,4-c]pyrrole-4-carboxylicacid,3,5-dihydro-,ethylester(9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS535169-98-3
  • Purity/Analytical Methods: >99.0%
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535169-98-3 / ethyl 3,5-dihydro-1H-furo[3,4-c]pyrrole-4-carboxylate

Standard CAS: 535169-98-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
535169-98-3
Multi CAS
No
Molecular Formula
C9H11NO3
Molecular Weight
181.190000
Exact Mass
181.073893
InChI
InChI=1S/C9H11NO3/c1-2-13-9(11)8-7-5-12-4-6(7)3-10-8/h3,10H,2,4-5H2,1H3
InChIKey
BMWJJLPDLLHJIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.24
TPSA
51.32

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
0.5
Consensus LogP
0.93
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-2.96

Drug-likeness / Medicinal Chemistry

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

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