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CAS 1824048-42-1 6-(Trifluoromethyl)-1,4-Oxazepan-6-Ol Hydrochloride(WX601463) molecular structure lightbox
CAS RN: 1824048-42-1

6-(Trifluoromethyl)-1,4-Oxazepan-6-Ol Hydrochloride(WX601463)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250714 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-084120
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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: 0.25g
  • 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 1824048-42-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1824048-42-1 / 6-(trifluoromethyl)-1,4-oxazepan-6-ol;hydrochloride

Standard CAS: 1824048-42-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1824048-42-1
Multi CAS
No
Molecular Formula
C6H11ClF3NO2
Molecular Weight
221.600000
Exact Mass
221.043041
SMILES
C1COCC(CN1)(C(F)(F)F)O.Cl
InChI
InChI=1S/C6H10F3NO2.ClH/c7-6(8,9)5(11)3-10-1-2-12-4-5;/h10-11H,1-4H2;1H
InChIKey
UUTMQAUWUQYJTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.94
TPSA
41.49

LogP / Solubility

WLOGP
0.32
MLOGP
0.29
XLogP3
0.32
Consensus LogP
0.31
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-3.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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