[email protected]
CAS 1131622-50-8 3-BroMo-4-cyclopropylbenzoic acid molecular structure lightbox
CAS RN: 1131622-50-8

3-BroMo-4-cyclopropylbenzoic acid

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 100mg In stock Shanghai Inquiry
Batchno.20250826 1g In stock Shanghai Inquiry
Batchno.20250120 250mg In stock Shanghai Inquiry
  • Product code: SSC-013348
GET A QUOTE
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: 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1131622-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry

1131622-50-8 / 3-bromo-4-cyclopropylbenzoic acid

3-bromo-4-cyclopropylbenzoic acid | MFCD11110859 | 3-bromo-4-cyclopropyl-benzoic acid

Standard CAS: 1131622-50-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1131622-50-8
Multi CAS
No
Molecular Formula
C10H9BrO2
Molecular Weight
241.080000
Exact Mass
239.978590
SMILES
C1CC1C2=C(C=C(C=C2)C(=O)O)Br
InChI
InChI=1S/C10H9BrO2/c11-9-5-7(10(12)13)3-4-8(9)6-1-2-6/h3-6H,1-2H2,(H,12,13)
InChIKey
YGSSCOWWLLABAH-UHFFFAOYSA-N
Synonyms
3-bromo-4-cyclopropylbenzoic acid MFCD11110859 3-bromo-4-cyclopropyl-benzoic acid 3-Bromo-4-cyclopropylbenzoicacid SCHEMBL12941763

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.08
TPSA
37.3

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
3
Consensus LogP
2.9
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-2.04

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us