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CAS 183741-80-2 TERT-BUTYL-N-(6-METHOXY-3-PYRIDYL)CARBAMATE molecular structure lightbox
CAS RN: 183741-80-2

TERT-BUTYL-N-(6-METHOXY-3-PYRIDYL)CARBAMATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-084985
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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: 5g
  • 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 183741-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

183741-80-2 / tert-butyl N-(6-methoxy-3-pyridinyl)carbamate

Standard CAS: 183741-80-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183741-80-2
Multi CAS
No
Molecular Formula
C11H16N2O3
Molecular Weight
224.260000
Exact Mass
224.116092
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1)OC
InChI
InChI=1S/C11H16N2O3/c1-11(2,3)16-10(14)13-8-5-6-9(15-4)12-7-8/h5-7H,1-4H3,(H,13,14)
InChIKey
BQBSTIXIDDRDHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.65
TPSA
60.45

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
1.7
Consensus LogP
2.1
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-2.36

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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