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CAS 64507-20-6 Propanoic acid,3-chloro-2,2-dimethyl-3-oxo-,methyl ester molecular structure lightbox
CAS RN: 64507-20-6

Propanoic acid,3-chloro-2,2-dimethyl-3-oxo-,methyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250210 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-174262
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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: 0.25g
  • 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 64507-20-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g 95% 0 Out of Stock Hong Kong Inquiry

64507-20-6 / methyl 3-chloro-2,2-dimethyl-3-oxopropanoate

Standard CAS: 64507-20-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64507-20-6
Multi CAS
No
Molecular Formula
C6H9CLO3
Molecular Weight
164.590000
Exact Mass
164.024022
InChI
InChI=1S/C6H9ClO3/c1-6(2,4(7)8)5(9)10-3/h1-3H3
InChIKey
YHZPQWZDBDVTIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
36.66
TPSA
43.37

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
1.7
Consensus LogP
1.16
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-3.05

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
1.5

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