[email protected]
CAS 1380437-47-7 N-Fmoc-4-(3-chlorophenyl)-L-phenylalanine molecular structure lightbox
CAS RN: 1380437-47-7

N-Fmoc-4-(3-chlorophenyl)-L-phenylalanine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-048028
GET A QUOTE
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
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1380437-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry

1380437-47-7 / (2S)-3-[4-(3-chlorophenyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 1380437-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1380437-47-7
Multi CAS
No
Molecular Formula
C30H24ClNO4
Molecular Weight
498.000000
Exact Mass
497.139386
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)C5=CC(=CC=C5)Cl)C(=O)O
InChI
InChI=1S/C30H24ClNO4/c31-22-7-5-6-21(17-22)20-14-12-19(13-15-20)16-28(29(33)34)32-30(35)36-18-27-25-10-3-1-8-23(25)24-9-2-4-11-26(24)27/h1-15,17,27-28H,16,18H2,(H,32,35)(H,33,34)/t28-/m0/s1
InChIKey
RPGFDSRYCOWLSM-NDEPHWFRSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.13
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
140.22
TPSA
75.63

LogP / Solubility

WLOGP
6.54
MLOGP
5.79
XLogP3
6.9
Consensus LogP
6.41
Log S (ESOL)
-7.08
Class (ESOL)
Insoluble
Log S (Ali)
-8.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us