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CAS 199328-35-3 BENZENEACETIC ACID, 4-BROMO-2-NITRO-, ETHYL ESTER molecular structure lightbox
CAS RN: 199328-35-3

BENZENEACETIC ACID, 4-BROMO-2-NITRO-, ETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250910 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-093864
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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: ＞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 199328-35-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

199328-35-3 / ethyl 2-(4-bromo-2-nitrophenyl)acetate

Standard CAS: 199328-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199328-35-3
Multi CAS
No
Molecular Formula
C10H10BrNO4
Molecular Weight
288.090000
Exact Mass
286.979320
SMILES
CCOC(=O)CC1=C(C=C(C=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C10H10BrNO4/c1-2-16-10(13)5-7-3-4-8(11)6-9(7)12(14)15/h3-4,6H,2,5H2,1H3
InChIKey
VZLHDZQLBGMIGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
61.13
TPSA
69.44

LogP / Solubility

WLOGP
2.46
MLOGP
2.18
XLogP3
2.6
Consensus LogP
2.41
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

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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