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CAS 1387445-50-2 N-Boc-5-Methoxy-7-Methylindole molecular structure lightbox
CAS RN: 1387445-50-2

N-Boc-5-Methoxy-7-Methylindole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251118 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-048685
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 5g, 10g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1387445-50-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Shanghai Inquiry
10g >95% 5 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

1387445-50-2 / tert-butyl 5-methoxy-7-methylindole-1-carboxylate

Standard CAS: 1387445-50-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1387445-50-2
Multi CAS
No
Molecular Formula
C15H19NO3
Molecular Weight
261.320000
Exact Mass
261.136493
SMILES
CC1=CC(=CC2=C1N(C=C2)C(=O)OC(C)(C)C)OC
InChI
InChI=1S/C15H19NO3/c1-10-8-12(18-5)9-11-6-7-16(13(10)11)14(17)19-15(2,3)4/h6-9H,1-5H3
InChIKey
OMZYGXJHKONVSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
74.86
TPSA
40.46

LogP / Solubility

WLOGP
3.74
MLOGP
3.3
XLogP3
3.6
Consensus LogP
3.55
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66

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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