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CAS 1820664-99-0 Methyl 2-(2-BroMo-4-pyridyl)-2-Methylpropanoate molecular structure lightbox
CAS RN: 1820664-99-0

Methyl 2-(2-BroMo-4-pyridyl)-2-Methylpropanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251217 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-082864
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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: 1g, 0.25g, 0.1g
  • 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 1820664-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry

1820664-99-0 / methyl 2-(2-bromo-4-pyridinyl)-2-methylpropanoate

Standard CAS: 1820664-99-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820664-99-0
Multi CAS
No
Molecular Formula
C10H12BrNO2
Molecular Weight
258.110000
Exact Mass
257.005140
SMILES
CC(C)(C1=CC(=NC=C1)Br)C(=O)OC
InChI
InChI=1S/C10H12BrNO2/c1-10(2,9(13)14-3)7-4-5-12-8(11)6-7/h4-6H,1-3H3
InChIKey
IJWALVCRFCZRRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.98
TPSA
39.19

LogP / Solubility

WLOGP
2.29
MLOGP
2.03
XLogP3
2.6
Consensus LogP
2.31
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-2.67

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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