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CAS 1135272-67-1 methyl 3-(2-hydroxyethyl)-1H-indole-5-carboxylate molecular structure lightbox
CAS RN: 1135272-67-1

methyl 3-(2-hydroxyethyl)-1H-indole-5-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-013639
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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: ≥95%
  • 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 1135272-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1135272-67-1 / methyl 3-(2-hydroxyethyl)-1H-indole-5-carboxylate

methyl 3-(2-hydroxyethyl)-1h-indole-5-carboxylate | MFCD24613926 | MLS001250155

Standard CAS: 1135272-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1135272-67-1
Multi CAS
No
Molecular Formula
C12H13NO3
Molecular Weight
219.240000
Exact Mass
219.089543
SMILES
COC(=O)C1=CC2=C(C=C1)NC=C2CCO
InChI
InChI=1S/C12H13NO3/c1-16-12(15)8-2-3-11-10(6-8)9(4-5-14)7-13-11/h2-3,6-7,13-14H,4-5H2,1H3
InChIKey
GLKOUTDERTUUSN-UHFFFAOYSA-N
Synonyms
methyl 3-(2-hydroxyethyl)-1h-indole-5-carboxylate MFCD24613926 MLS001250155 ISUPSL100240 SCHEMBL3974212

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.43
TPSA
62.32

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
0.7
Consensus LogP
1.17
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-3

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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