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CAS 39929-64-1 Cyclohexanecarboxylic acid, 1methyl-, chloromethyl ester molecular structure lightbox
CAS RN: 39929-64-1

Cyclohexanecarboxylic acid, 1methyl-, chloromethyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260417 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-147754
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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: ≥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 39929-64-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

39929-64-1 / chloromethyl 1-methylcyclohexane-1-carboxylate

Standard CAS: 39929-64-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39929-64-1
Multi CAS
No
Molecular Formula
C9H15CLO2
Molecular Weight
190.670000
Exact Mass
190.076057
InChI
InChI=1S/C9H15ClO2/c1-9(8(11)12-7-10)5-3-2-4-6-9/h2-7H2,1H3
InChIKey
NXIKIWDHPKFJAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
48
TPSA
26.3

LogP / Solubility

WLOGP
2.7
MLOGP
2.37
XLogP3
3.2
Consensus LogP
2.76
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-1.97

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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