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CAS 1198791-58-0 (S)-N-FMoc-2-(2′–propynyl)alanine molecular structure lightbox
CAS RN: 1198791-58-0

(S)-N-FMoc-2-(2′–propynyl)alanine

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250407 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260106 100mg In stock Inquiry
Batchno.20250214 1g In stock Inquiry
Batchno.20260522 250mg In stock Inquiry
  • Product code: SSC-020666
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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 1198791-58-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1198791-58-0 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpent-4-ynoic acid

4-Pentynoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)- | 4-Pentynoic acid, 2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-2-methyl-, (2R)- | RefChem:295388

Standard CAS: 1198791-58-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1198791-58-0
Multi CAS
Yes
Molecular Formula
C21H19NO4
Molecular Weight
349.400000
Exact Mass
349.131408
SMILES
C[C@](CC#C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H19NO4/c1-3-12-21(2,19(23)24)22-20(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h1,4-11,18H,12-13H2,2H3,(H,22,25)(H,23,24)/t21-/m0/s1
InChIKey
ZXOKSWZUJXKQCQ-NRFANRHFSA-N
Synonyms
4-Pentynoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)- 4-Pentynoic acid, 2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-2-methyl-, (2R)- RefChem:295388 (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylpent-4-ynoic acid MFCD12031694

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
97.7
TPSA
75.63

LogP / Solubility

WLOGP
3.39
MLOGP
3
XLogP3
3.5
Consensus LogP
3.3
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
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)
-2.44

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
3

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501

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