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CAS 13888-03-4 Methyl 4-Chloro-2-methylbutyrate molecular structure lightbox
CAS RN: 13888-03-4

Methyl 4-Chloro-2-methylbutyrate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260121 1g In stock Shanghai, Shandong Inquiry
Batchno.20260119 25g In stock Shanghai Inquiry
Batchno.20260420 5g In stock Shandong Inquiry
  • Product code: SSC-049012
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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: ＞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 13888-03-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

13888-03-4 / methyl 4-chloro-2-methylbutanoate

Standard CAS: 13888-03-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13888-03-4
Multi CAS
No
Molecular Formula
C6H11ClO2
Molecular Weight
150.600000
Exact Mass
150.044757
SMILES
CC(CCCl)C(=O)OC
InChI
InChI=1S/C6H11ClO2/c1-5(3-4-7)6(8)9-2/h5H,3-4H2,1-2H3
InChIKey
ZDDYJHVTUSUPFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
36.52
TPSA
26.3

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.6
Consensus LogP
1.42
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
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)
-2.63

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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