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CAS 207110-35-8 3-Bromo-5-fluoro-4-methylaniline molecular structure lightbox
CAS RN: 207110-35-8

3-Bromo-5-fluoro-4-methylaniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 25mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-097523
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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, 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 207110-35-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

207110-35-8 / 3-bromo-5-fluoro-4-methylaniline

Standard CAS: 207110-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207110-35-8
Multi CAS
No
Molecular Formula
C7H7BrFN
Molecular Weight
204.040000
Exact Mass
202.974590
SMILES
CC1=C(C=C(C=C1Br)N)F
InChI
InChI=1S/C7H7BrFN/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3
InChIKey
PYSVBVGSPMLRRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.25
TPSA
26.02

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
2.4
Consensus LogP
2.35
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
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)
-2.2

Drug-likeness / Medicinal Chemistry

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

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