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CAS 115199-26-3 (E)-Methyl-2-(2-broMoMethylphenyl)-2-MethoxyiMinoacetate molecular structure lightbox
CAS RN: 115199-26-3

(E)-Methyl-2-(2-broMoMethylphenyl)-2-MethoxyiMinoacetate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-014882
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 115199-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

115199-26-3 / methyl 2-[2-(bromomethyl)phenyl]-2-methoxyiminoacetate

(E)-Methyl 2-(methoxyimino)-2-[2-(bromomethyl)phenyl]acetate | (E)-2-[2-(Bromomethyl)phenyl]-2-(methoxyimino)acetic Acid Methyl Ester | methyl (2E)-2-[2-(bromomethyl)phenyl]-2-methoxyiminoacetate

Standard CAS: 115199-26-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115199-26-3
Multi CAS
Yes
Molecular Formula
C11H12BrNO3
Molecular Weight
286.120000
Exact Mass
285.000060
SMILES
COC(=O)C(=NOC)C1=CC=CC=C1CBr
InChI
InChI=1S/C11H12BrNO3/c1-15-11(14)10(13-16-2)9-6-4-3-5-8(9)7-12/h3-6H,7H2,1-2H3
InChIKey
LDPXOYHMGOQPIV-UHFFFAOYSA-N
Synonyms
(E)-Methyl 2-(methoxyimino)-2-[2-(bromomethyl)phenyl]acetate (E)-2-[2-(Bromomethyl)phenyl]-2-(methoxyimino)acetic Acid Methyl Ester methyl (2E)-2-[2-(bromomethyl)phenyl]-2-methoxyiminoacetate Benzeneacetic acid, 2-(bromomethyl)-a-(methoxyimino)-, methyl ester,(aE)- methyl(2E)-[2-(bromomethyl)phenyl](methoxyimino)acetate

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
64.64
TPSA
47.89

LogP / Solubility

WLOGP
2.1
MLOGP
1.86
XLogP3
2.8
Consensus LogP
2.25
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

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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