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CAS 1788861-35-7 (9H-Fluoren-9-yl)MethOxy]Carbonyl MeDbz-OH molecular structure lightbox
CAS RN: 1788861-35-7

(9H-Fluoren-9-yl)MethOxy]Carbonyl MeDbz-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250115 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-079662
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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 1788861-35-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1788861-35-7 / 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(methylamino)benzoic acid

Standard CAS: 1788861-35-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1788861-35-7
Multi CAS
No
Molecular Formula
C23H20N2O4
Molecular Weight
388.400000
Exact Mass
388.142307
SMILES
CNC1=C(C=C(C=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H20N2O4/c1-24-20-11-10-14(22(26)27)12-21(20)25-23(28)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-12,19,24H,13H2,1H3,(H,25,28)(H,26,27)
InChIKey
YIRHQVZRKURGRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
111.64
TPSA
87.66

LogP / Solubility

WLOGP
4.79
MLOGP
4.24
XLogP3
4.1
Consensus LogP
4.38
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.69

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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