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CAS 178924-05-5 (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(((allyloxy)carbonyl)amino)propanoic acid molecular structure lightbox
CAS RN: 178924-05-5

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(((allyloxy)carbonyl)amino)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-079692
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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 178924-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

178924-05-5 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(prop-2-enoxycarbonylamino)propanoic acid

Standard CAS: 178924-05-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
178924-05-5
Multi CAS
No
Molecular Formula
C22H22N2O6
Molecular Weight
410.400000
Exact Mass
410.147786
SMILES
C=CCOC(=O)NC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H22N2O6/c1-2-11-29-21(27)23-12-19(20(25)26)24-22(28)30-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m1/s1
InChIKey
MPVGCCAXXFLGIU-LJQANCHMSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
109.18
TPSA
113.96

LogP / Solubility

WLOGP
2.89
MLOGP
2.57
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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