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CAS 110661-91-1 T-BUTYL 4-BROMOBUTYRATE molecular structure lightbox
CAS RN: 110661-91-1

T-BUTYL 4-BROMOBUTYRATE

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250611 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250415 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250907 1g In stock Shanghai, Shandong Inquiry
Batchno.20250115 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250330 500g Out of stock 5-7 business days Inquiry
Batchno.20250504 5g In stock Shanghai, Hebei Inquiry
  • Product code: SSC-011643
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 110661-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 3 In Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry
100g >95% 0 Out of Stock Shenzhen Inquiry
500g >95% 0 Out of Stock Hong Kong Inquiry

110661-91-1 / tert-butyl 4-bromobutanoate

tert-butyl 4-bromobutanoate | 4-bromobutyric acid-t-butyl ester | DTXSID30911796

Standard CAS: 110661-91-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110661-91-1
Multi CAS
Yes
Molecular Formula
C8H15BrO2
Molecular Weight
223.110000
Exact Mass
222.025540
SMILES
CC(C)(C)OC(=O)CCCBr
InChI
InChI=1S/C8H15BrO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6H2,1-3H3
InChIKey
HJEZRYIJNHAIGY-UHFFFAOYSA-N
Synonyms
tert-butyl 4-bromobutanoate 4-bromobutyric acid-t-butyl ester DTXSID30911796 RefChem:893991 DTXCID701340828

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
48.87
TPSA
26.3

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2.3

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger Warning
GHS Hazard Statements
H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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