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CAS 1135283-50-9 tert-butyl N-(2-formyl-1-benzofuran-5-yl)carbamate molecular structure lightbox
CAS RN: 1135283-50-9

tert-butyl N-(2-formyl-1-benzofuran-5-yl)carbamate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260514 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-013644
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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 1135283-50-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1135283-50-9 / tert-butyl N-(2-formyl-1-benzofuran-5-yl)carbamate

tert-Butyl N-(2-formyl-1-benzofuran-5-yl)carbamate | tert-Butyl (2-formylbenzofuran-5-yl)carbamate | MFCD11841009

Standard CAS: 1135283-50-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1135283-50-9
Multi CAS
No
Molecular Formula
C14H15NO4
Molecular Weight
261.270000
Exact Mass
261.100108
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1)OC(=C2)C=O
InChI
InChI=1S/C14H15NO4/c1-14(2,3)19-13(17)15-10-4-5-12-9(6-10)7-11(8-16)18-12/h4-8H,1-3H3,(H,15,17)
InChIKey
DYYIRQNEAOZSBO-UHFFFAOYSA-N
Synonyms
tert-Butyl N-(2-formyl-1-benzofuran-5-yl)carbamate tert-Butyl (2-formylbenzofuran-5-yl)carbamate MFCD11841009 tert-Butyl-N-(2-formyl-1-benzofuran-5-yl)carbamate SCHEMBL29955990

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.46
TPSA
68.54

LogP / Solubility

WLOGP
3.59
MLOGP
3.17
XLogP3
2.7
Consensus LogP
3.15
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76

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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