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CAS 1243698-95-4 tert-butyl 5-bromopyridin-3-ylmethylcarbamate molecular structure lightbox
CAS RN: 1243698-95-4

tert-butyl 5-bromopyridin-3-ylmethylcarbamate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260516 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-028299
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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 1243698-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1243698-95-4 / tert-butyl N-(5-bromo-3-pyridinyl)-N-methylcarbamate

Standard CAS: 1243698-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1243698-95-4
Multi CAS
No
Molecular Formula
C11H15BrN2O2
Molecular Weight
287.150000
Exact Mass
286.031690
SMILES
CC(C)(C)OC(=O)N(C)C1=CC(=CN=C1)Br
InChI
InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14(4)9-5-8(12)6-13-7-9/h5-7H,1-4H3
InChIKey
MFYMTVGJNYCAOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.57
TPSA
42.43

LogP / Solubility

WLOGP
3.22
MLOGP
2.84
XLogP3
2.3
Consensus LogP
2.79
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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)
-2.19

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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