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CAS 1204501-37-0 ethyl 5-chloro-7-fluoro-1H-indole-2-carboxylate molecular structure lightbox
CAS RN: 1204501-37-0

ethyl 5-chloro-7-fluoro-1H-indole-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-021443
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1204501-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1204501-37-0 / ethyl 5-chloro-7-fluoro-1H-indole-2-carboxylate

ethyl 5-chloro-7-fluoro-1H-indole-2-carboxylate | MFCD22205716 | ethyl 5-chloro-7-fluoroindole-2-carboxylate

Standard CAS: 1204501-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1204501-37-0
Multi CAS
No
Molecular Formula
C11H9ClFNO2
Molecular Weight
241.640000
Exact Mass
241.030584
SMILES
CCOC(=O)C1=CC2=CC(=CC(=C2N1)F)Cl
InChI
InChI=1S/C11H9ClFNO2/c1-2-16-11(15)9-4-6-3-7(12)5-8(13)10(6)14-9/h3-5,14H,2H2,1H3
InChIKey
HFBSVXMAYVSVIR-UHFFFAOYSA-N
Synonyms
ethyl 5-chloro-7-fluoro-1H-indole-2-carboxylate MFCD22205716 ethyl 5-chloro-7-fluoroindole-2-carboxylate SCHEMBL16486363 HFBSVXMAYVSVIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.22
TPSA
42.09

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
3.3
Consensus LogP
3.07
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

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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