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CAS 432037-43-9 Butanedioic, 1-(chloromethyl)-4-t-butyl ester molecular structure lightbox
CAS RN: 432037-43-9

Butanedioic, 1-(chloromethyl)-4-t-butyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-151521
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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: 0.1g, 0.25g, 1g, 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 432037-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

432037-43-9 / 4-O-tert-butyl 1-O-(chloromethyl) butanedioate

Standard CAS: 432037-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
432037-43-9
Multi CAS
No
Molecular Formula
C9H15CLO4
Molecular Weight
222.660000
Exact Mass
222.065887
InChI
InChI=1S/C9H15ClO4/c1-9(2,3)14-8(12)5-4-7(11)13-6-10/h4-6H2,1-3H3
InChIKey
ZEHMWPBRDVLBMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
51.89
TPSA
52.6

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.5
Consensus LogP
1.66
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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)
-2.77

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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