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CAS 843629-51-6 5-FLUORO-3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 843629-51-6

5-FLUORO-3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260301 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250702 200mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS843629-51-6
  • Purity/Analytical Methods: >99.0%
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843629-51-6 / methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate

Standard CAS: 843629-51-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
843629-51-6
Multi CAS
No
Molecular Formula
C11FH8NO3
Molecular Weight
221.180000
Exact Mass
221.048821
InChI
InChI=1S/C11H8FNO3/c1-16-11(15)10-8(5-14)7-4-6(12)2-3-9(7)13-10/h2-5,13H,1H3
InChIKey
RFUMCHQBRAGPMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.98
TPSA
59.16

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

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
1.5

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