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CAS 1217637-40-5 FMOC-D-3-CARBAMOYLPHE molecular structure lightbox
CAS RN: 1217637-40-5

FMOC-D-3-CARBAMOYLPHE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260528 200mg / 1g / 5g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-024456
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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
  • 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 1217637-40-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1217637-40-5 / (2R)-3-(3-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 1217637-40-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217637-40-5
Multi CAS
No
Molecular Formula
C25H22N2O5
Molecular Weight
430.500000
Exact Mass
430.152872
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC(=CC=C4)C(=O)N)C(=O)O
InChI
InChI=1S/C25H22N2O5/c26-23(28)16-7-5-6-15(12-16)13-22(24(29)30)27-25(31)32-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H2,26,28)(H,27,31)(H,29,30)/t22-/m1/s1
InChIKey
YOTDQRFXBNPJQA-JOCHJYFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.16
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
118.29
TPSA
118.72

LogP / Solubility

WLOGP
3.32
MLOGP
2.95
XLogP3
3.5
Consensus LogP
3.26
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

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

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