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CAS 218926-48-8 2-(((9H-fluoren-9-yl)Methoxy)carbonylaMino)-2-butylhexanoic acid molecular structure lightbox
CAS RN: 218926-48-8

2-(((9H-fluoren-9-yl)Methoxy)carbonylaMino)-2-butylhexanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-105409
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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 218926-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

218926-48-8 / 2-butyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Standard CAS: 218926-48-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
218926-48-8
Multi CAS
No
Molecular Formula
C25H31NO4
Molecular Weight
409.500000
Exact Mass
409.225308
SMILES
CCCCC(CCCC)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H31NO4/c1-3-5-15-25(23(27)28,16-6-4-2)26-24(29)30-17-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,22H,3-6,15-17H2,1-2H3,(H,26,29)(H,27,28)
InChIKey
LFQORNJHCFWMHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
117.62
TPSA
75.63

LogP / Solubility

WLOGP
5.73
MLOGP
5.07
XLogP3
6.1
Consensus LogP
5.63
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
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)
-1.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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