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CAS 220400-04-4 Cbz-4-Iodo-L-Phenylalanine molecular structure lightbox
CAS RN: 220400-04-4

Cbz-4-Iodo-L-Phenylalanine

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260520 1g In stock Wuhan, Chengdu Inquiry
Batchno.20260531 250mg In stock Shenzhen, Chengdu Inquiry
Batchno.20260617 50mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20260331 5g Out of stock Inquiry
  • Product code: SSC-106016
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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: ＞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 220400-04-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

220400-04-4 / (2S)-3-(4-iodophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Standard CAS: 220400-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220400-04-4
Multi CAS
No
Molecular Formula
C17H16INO4
Molecular Weight
425.220000
Exact Mass
425.012410
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)I)C(=O)O
InChI
InChI=1S/C17H16INO4/c18-14-8-6-12(7-9-14)10-15(16(20)21)19-17(22)23-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,22)(H,20,21)/t15-/m0/s1
InChIKey
RLQFURMICGBHLW-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
94.05
TPSA
75.63

LogP / Solubility

WLOGP
3.21
MLOGP
2.85
XLogP3
2.7
Consensus LogP
2.92
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.03

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

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