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CAS 486460-09-7 BOC-D-2,4,5-TRIFLUOROPHE molecular structure lightbox
CAS RN: 486460-09-7

BOC-D-2,4,5-TRIFLUOROPHE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250318 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-155343
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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 486460-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

486460-09-7 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,4,5-trifluorophenyl)propanoic acid

Standard CAS: 486460-09-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
486460-09-7
Multi CAS
Yes
Molecular Formula
C14F3H16NO4
Molecular Weight
319.280000
Exact Mass
319.103142
InChI
InChI=1S/C14H16F3NO4/c1-14(2,3)22-13(21)18-11(12(19)20)5-7-4-9(16)10(17)6-8(7)15/h4,6,11H,5H2,1-3H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKey
FTWHJNNFVISGNQ-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.81
TPSA
75.63

LogP / Solubility

WLOGP
2.62
MLOGP
2.32
XLogP3
2.8
Consensus LogP
2.58
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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