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CAS 1072845-47-6 FMoc-α-Me-Asp(OtBu)-OH molecular structure lightbox
CAS RN: 1072845-47-6

FMoc-α-Me-Asp(OtBu)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-008747
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1072845-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

1072845-47-6 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-2-methyl-4-oxobutanoic acid | FMoc-alpha-Me-Asp(OtBu)-OH | (S)-Fmoc-2-amino-2-methyl-succinic acid-4-tert-butyl ester

Standard CAS: 1072845-47-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1072845-47-6
Multi CAS
Yes
Molecular Formula
C24H27NO6
Molecular Weight
425.500000
Exact Mass
425.183838
SMILES
C[C@](CC(=O)OC(C)(C)C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H27NO6/c1-23(2,3)31-20(26)13-24(4,21(27)28)25-22(29)30-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19H,13-14H2,1-4H3,(H,25,29)(H,27,28)/t24-/m0/s1
InChIKey
STBMKQNEFSJOCS-DEOSSOPVSA-N
Synonyms
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-2-methyl-4-oxobutanoic acid FMoc-alpha-Me-Asp(OtBu)-OH (S)-Fmoc-2-amino-2-methyl-succinic acid-4-tert-butyl ester Fmoc-|A-Me-Asp(OtBu)-OH MFCD12031692

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
114.71
TPSA
101.93

LogP / Solubility

WLOGP
4.1
MLOGP
3.64
XLogP3
3.7
Consensus LogP
3.81
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.4

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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