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CAS 198545-85-6 FMOC-D-PENTAFLUOROPHENYLALANINE molecular structure lightbox
CAS RN: 198545-85-6

FMOC-D-PENTAFLUOROPHENYLALANINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-093554
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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: 5g
  • 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 198545-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

198545-85-6 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid

Standard CAS: 198545-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
198545-85-6
Multi CAS
No
Molecular Formula
C24H16F5NO4
Molecular Weight
477.400000
Exact Mass
477.099949
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=C(C(=C(C(=C4F)F)F)F)F)C(=O)O
InChI
InChI=1S/C24H16F5NO4/c25-18-15(19(26)21(28)22(29)20(18)27)9-17(23(31)32)30-24(33)34-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8,16-17H,9-10H2,(H,30,33)(H,31,32)/t17-/m1/s1
InChIKey
DLOGILOIJKBYKA-QGZVFWFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
109.56
TPSA
75.63

LogP / Solubility

WLOGP
4.92
MLOGP
4.36
XLogP3
5.1
Consensus LogP
4.79
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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