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CAS 219640-94-5 Fmoc-2-aminomethyl-benzoic acid molecular structure lightbox
CAS RN: 219640-94-5

Fmoc-2-aminomethyl-benzoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-105639
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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 219640-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

219640-94-5 / 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid

Standard CAS: 219640-94-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219640-94-5
Multi CAS
No
Molecular Formula
C23H19NO4
Molecular Weight
373.400000
Exact Mass
373.131408
SMILES
C1=CC=C(C(=C1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H19NO4/c25-22(26)16-8-2-1-7-15(16)13-24-23(27)28-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChIKey
ZPHFVZKLOMMGCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
105.31
TPSA
75.63

LogP / Solubility

WLOGP
4.42
MLOGP
3.91
XLogP3
4.1
Consensus LogP
4.14
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.36
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)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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