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CAS 35951-28-1 2-Chlorocyclododecanone molecular structure lightbox
CAS RN: 35951-28-1

2-Chlorocyclododecanone

  • Product code: SSC-143020
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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 35951-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

35951-28-1 / 2-chlorocyclododecan-1-one

Standard CAS: 35951-28-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35951-28-1
Multi CAS
Yes
Molecular Formula
C12H21CLO
Molecular Weight
216.750000
Exact Mass
216.128093
InChI
InChI=1S/C12H21ClO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11H,1-10H2
InChIKey
VDNDILHUSVTMNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.92
H-bond acceptors
1
Molar refractivity
60.82
TPSA
17.07

LogP / Solubility

WLOGP
4.08
MLOGP
3.59
XLogP3
4.7
Consensus LogP
4.12
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15

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
3.5

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