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CAS 1072845-48-7 (S)-N-FMOC-A-METHYLGLUTAMIC ACID 5-TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 1072845-48-7

(S)-N-FMOC-A-METHYLGLUTAMIC ACID 5-TERT-BUTYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 100mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008748
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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, 5g
  • 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 1072845-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

1072845-48-7 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

N-Fmoc-2-methyl-L-glutamic acid 5-tert-butyl ester | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-2-methyl-5-oxopentanoic acid | Fmoc-|A-Me-Glu(OtBu)-OH

Standard CAS: 1072845-48-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1072845-48-7
Multi CAS
Yes
Molecular Formula
C25H29NO6
Molecular Weight
439.500000
Exact Mass
439.199488
SMILES
C[C@](CCC(=O)OC(C)(C)C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H29NO6/c1-24(2,3)32-21(27)13-14-25(4,22(28)29)26-23(30)31-15-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,20H,13-15H2,1-4H3,(H,26,30)(H,28,29)/t25-/m0/s1
InChIKey
VQJPOKXHUZJEJQ-VWLOTQADSA-N
Synonyms
N-Fmoc-2-methyl-L-glutamic acid 5-tert-butyl ester (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-2-methyl-5-oxopentanoic acid Fmoc-|A-Me-Glu(OtBu)-OH MFCD32899204 (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
119.32
TPSA
101.93

LogP / Solubility

WLOGP
4.49
MLOGP
3.98
XLogP3
4
Consensus LogP
4.16
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.08
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)
-2.21

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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