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CAS 2890-61-1 1-METHYL-1-CYCLOHEXANECARBOXYLIC ACID CHLORIDE molecular structure lightbox
CAS RN: 2890-61-1

1-METHYL-1-CYCLOHEXANECARBOXYLIC ACID CHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-130791
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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 2890-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2890-61-1 / 1-methylcyclohexane-1-carbonyl chloride

Standard CAS: 2890-61-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2890-61-1
Multi CAS
Yes
Molecular Formula
C8H13CLO
Molecular Weight
160.640000
Exact Mass
160.065493
InChI
InChI=1S/C8H13ClO/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3
InChIKey
STPXIOFWKOIYHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
42.05
TPSA
17.07

LogP / Solubility

WLOGP
2.72
MLOGP
2.39
XLogP3
3.2
Consensus LogP
2.77
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-1.77

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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