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CAS 114438-75-4 (2R)-2-bromo-Butanoic acid methyl ester molecular structure lightbox
CAS RN: 114438-75-4

(2R)-2-bromo-Butanoic acid methyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-014227
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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: ≥95%
  • 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 114438-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

114438-75-4 / methyl (2R)-2-bromobutanoate

methyl (2R)-2-bromobutanoate | Methyl (R)-2-bromobutanoate | (2R)-2-bromo-Butanoic acid methyl ester

Standard CAS: 114438-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
114438-75-4
Multi CAS
No
Molecular Formula
C5H9BrO2
Molecular Weight
181.030000
Exact Mass
179.978590
SMILES
CC[C@H](C(=O)OC)Br
InChI
InChI=1S/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3/t4-/m1/s1
InChIKey
UFQQDNMQADCHGH-SCSAIBSYSA-N
Synonyms
methyl (2R)-2-bromobutanoate Methyl (R)-2-bromobutanoate (2R)-2-bromo-Butanoic acid methyl ester MFCD20622163 methyl-(R)-2-bromobutyrate

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
35.02
TPSA
26.3

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1.8
Consensus LogP
1.43
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.88

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

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