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CAS 394735-65-0 tert-butoxycarbonylamino-(4,4-difluoro-cyclohexyl)-acetic acid molecular structure lightbox
CAS RN: 394735-65-0

tert-butoxycarbonylamino-(4,4-difluoro-cyclohexyl)-acetic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-147132
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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: 0.1g, 0.25g, 1g, 5g
  • 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 394735-65-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

394735-65-0 / 2-(4,4-difluorocyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

Standard CAS: 394735-65-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
394735-65-0
Multi CAS
Yes
Molecular Formula
C13F2H21NO4
Molecular Weight
293.310000
Exact Mass
293.143864
InChI
InChI=1S/C13H21F2NO4/c1-12(2,3)20-11(19)16-9(10(17)18)8-4-6-13(14,15)7-5-8/h8-9H,4-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
JALIUBZVGPQDJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.7
TPSA
75.63

LogP / Solubility

WLOGP
2.79
MLOGP
2.47
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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