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CAS 1093759-59-1 4-Methoxy-1H-indole-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1093759-59-1

4-Methoxy-1H-indole-1-carboxylic acid tert-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-010648
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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 1093759-59-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1093759-59-1 / tert-butyl 4-methoxyindole-1-carboxylate

tert-Butyl 4-methoxy-1H-indole-1-carboxylate | DTXSID90677962 | RefChem:383628

Standard CAS: 1093759-59-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1093759-59-1
Multi CAS
No
Molecular Formula
C14H17NO3
Molecular Weight
247.290000
Exact Mass
247.120843
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2OC
InChI
InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-9-8-10-11(15)6-5-7-12(10)17-4/h5-9H,1-4H3
InChIKey
DNCPOYDMSDZLSB-UHFFFAOYSA-N
Synonyms
tert-Butyl 4-methoxy-1H-indole-1-carboxylate DTXSID90677962 RefChem:383628 DTXCID30628711 N-BOC-4-METHOXYINDOLE

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
70.12
TPSA
40.46

LogP / Solubility

WLOGP
3.43
MLOGP
3.03
XLogP3
3.2
Consensus LogP
3.22
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
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)
-1.79

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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