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CAS 121006-52-8 tert-butyl (2,5-dimethoxyphenyl)carbamate molecular structure lightbox
CAS RN: 121006-52-8

tert-butyl (2,5-dimethoxyphenyl)carbamate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250115 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-022379
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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 121006-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

121006-52-8 / tert-butyl N-(2,5-dimethoxyphenyl)carbamate

TERT-BUTYL (2,5-DIMETHOXYPHENYL)CARBAMATE | tert-butyl N-(2,5-dimethoxyphenyl)carbamate | MFCD07127716

Standard CAS: 121006-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121006-52-8
Multi CAS
No
Molecular Formula
C13H19NO4
Molecular Weight
253.290000
Exact Mass
253.131408
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C13H19NO4/c1-13(2,3)18-12(15)14-10-8-9(16-4)6-7-11(10)17-5/h6-8H,1-5H3,(H,14,15)
InChIKey
NIYCJCDSWJNYAI-UHFFFAOYSA-N
Synonyms
TERT-BUTYL (2,5-DIMETHOXYPHENYL)CARBAMATE tert-butyl N-(2,5-dimethoxyphenyl)carbamate MFCD07127716 N-Boc-2,5-dimethoxyaniline SCHEMBL115661

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.4
TPSA
56.79

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.7
Consensus LogP
2.81
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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