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CAS 51100-47-1 tert-Butyl 7-bromoheptanoate molecular structure lightbox
CAS RN: 51100-47-1

tert-Butyl 7-bromoheptanoate

Product Availability

Choose a grade to view its available package options.

12 package records12 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 100mg In stock Inquiry
Batchno.20260226 10g In stock Inquiry
Batchno.20260510 1g In stock Inquiry
Batchno.20250711 250mg In stock Inquiry
Batchno.20250320 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251113 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20260117 100mg / 250mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
Batchno.20251225 10g In stock Shanghai Inquiry
Batchno.20250926 1g In stock Shanghai Inquiry
Batchno.20250616 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251018 25g In stock Shanghai Inquiry
Batchno.20250912 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-157888
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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
  • 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 51100-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

51100-47-1 / tert-butyl 7-bromoheptanoate

Standard CAS: 51100-47-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51100-47-1
Multi CAS
No
Molecular Formula
C11H21BRO2
Molecular Weight
265.190000
Exact Mass
264.072490
InChI
InChI=1S/C11H21BrO2/c1-11(2,3)14-10(13)8-6-4-5-7-9-12/h4-9H2,1-3H3
InChIKey
XZMQZUGTGFBLIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
62.72
TPSA
26.3

LogP / Solubility

WLOGP
3.67
MLOGP
3.24
XLogP3
3.4
Consensus LogP
3.44
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
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)
-1.73

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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