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CAS 344331-90-4 (6-BROMO-2-PYRIDINYL)-CARBAMIC ACID,1,1-DIMETHYLETHYL ESTER molecular structure lightbox
CAS RN: 344331-90-4

(6-BROMO-2-PYRIDINYL)-CARBAMIC ACID,1,1-DIMETHYLETHYL ESTER

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 10g Out of stock Inquiry
Batchno.20250608 1g In stock Inquiry
Batchno.20250915 250mg In stock Inquiry
Batchno.20260203 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260407 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-140891
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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, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 344331-90-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
1g ≥97% 1 In Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

344331-90-4 / tert-butyl N-(6-bromo-2-pyridinyl)carbamate

Standard CAS: 344331-90-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
344331-90-4
Multi CAS
Yes
Molecular Formula
BC10H13O2Rn2
Molecular Weight
273.130000
Exact Mass
272.016040
InChI
InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-8-6-4-5-7(11)12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKey
WZDMEUOIVUZTPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.79
TPSA
51.22

LogP / Solubility

WLOGP
3.19
MLOGP
2.82
XLogP3
2.8
Consensus LogP
2.94
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly 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)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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