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CAS 181952-29-4 (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-acetamidopropanoic acid molecular structure lightbox
CAS RN: 181952-29-4

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-acetamidopropanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-082736
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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 181952-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

181952-29-4 / (2S)-3-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 181952-29-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
181952-29-4
Multi CAS
No
Molecular Formula
C20H20N2O5
Molecular Weight
368.400000
Exact Mass
368.137222
SMILES
CC(=O)NC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H20N2O5/c1-12(23)21-10-18(19(24)25)22-20(26)27-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-11H2,1H3,(H,21,23)(H,22,26)(H,24,25)/t18-/m0/s1
InChIKey
NJHKPVSGTKWJEN-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
98.31
TPSA
104.73

LogP / Solubility

WLOGP
2.11
MLOGP
1.88
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.47

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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