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CAS 1780964-59-1 N／A molecular structure lightbox
CAS RN: 1780964-59-1

N／A

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251220 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-078256
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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 1780964-59-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1780964-59-1 / 8,8-difluoro-2-azaspiro[4.5]decane;hydrochloride

Standard CAS: 1780964-59-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1780964-59-1
Multi CAS
No
Molecular Formula
C9H16ClF2N
Molecular Weight
211.680000
Exact Mass
211.093934
SMILES
C1CC(CCC12CCNC2)(F)F.Cl
InChI
InChI=1S/C9H15F2N.ClH/c10-9(11)3-1-8(2-4-9)5-6-12-7-8;/h12H,1-7H2;1H
InChIKey
AWPRMDVJKLGPSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.58
TPSA
12.03

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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