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CAS 67899-04-1 tert-butyl 6-iodohexanoate molecular structure lightbox
CAS RN: 67899-04-1

tert-butyl 6-iodohexanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-177649
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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: ≥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 67899-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

67899-04-1 / tert-butyl 6-iodohexanoate

Standard CAS: 67899-04-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67899-04-1
Multi CAS
No
Molecular Formula
C10H19IO2
Molecular Weight
298.160000
Exact Mass
298.042980
InChI
InChI=1S/C10H19IO2/c1-10(2,3)13-9(12)7-5-4-6-8-11/h4-8H2,1-3H3
InChIKey
MNNOXJIFTSBCFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
63.2
TPSA
26.3

LogP / Solubility

WLOGP
3.32
MLOGP
2.94
XLogP3
3.8
Consensus LogP
3.35
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly 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)
-2.18

Drug-likeness / Medicinal Chemistry

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

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