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CAS 61413-67-0 Chloromethyl Dodecanoate molecular structure lightbox
CAS RN: 61413-67-0

Chloromethyl Dodecanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250228 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-170309
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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 61413-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

61413-67-0 / chloromethyl dodecanoate

Standard CAS: 61413-67-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61413-67-0
Multi CAS
Yes
Molecular Formula
C13H25CLO2
Molecular Weight
248.790000
Exact Mass
248.154308
InChI
InChI=1S/C13H25ClO2/c1-2-3-4-5-6-7-8-9-10-11-13(15)16-12-14/h2-12H2,1H3
InChIKey
XCHDYWCWXAASER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
68.66
TPSA
26.3

LogP / Solubility

WLOGP
4.65
MLOGP
4.1
XLogP3
6
Consensus LogP
4.92
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
Class (SILICOS-IT)
Insoluble

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)
-0.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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