[email protected]
CAS 2681-94-9 (R)-2-BROMOBUTANOIC ACID molecular structure lightbox
CAS RN: 2681-94-9

(R)-2-BROMOBUTANOIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260330 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-125078
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: 5g
  • Available purity: ≥95%
  • 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 2681-94-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

2681-94-9 / 2-bromobutanoic acid

Standard CAS: 2681-94-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2681-94-9
Multi CAS
No
Molecular Formula
C4H7BrO2
Molecular Weight
167.000000
Exact Mass
165.962940
SMILES
CCC(C(=O)O)Br
InChI
InChI=1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey
YAQLSKVCTLCIIE-GSVOUGTGSA-N

Physical Properties

Physical Description
Oily liquid; [Merck Index]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.64
TPSA
37.3

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1.4
Consensus LogP
1.24
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us