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CAS 261522-33-2 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)prop-2-enoic acid molecular structure lightbox
CAS RN: 261522-33-2

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)prop-2-enoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-123120
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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: >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 261522-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

261522-33-2 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)prop-2-enoic acid

Standard CAS: 261522-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
261522-33-2
Multi CAS
No
Molecular Formula
C18H15NO4
Molecular Weight
309.300000
Exact Mass
309.100108
SMILES
C=C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C18H15NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,1,10H2,(H,19,22)(H,20,21)
InChIKey
DIKJMEPNMBFUQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
84.98
TPSA
75.63

LogP / Solubility

WLOGP
3.12
MLOGP
2.76
XLogP3
3.3
Consensus LogP
3.06
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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