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CAS 1172579-62-2 (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3,3-dimethylbutanoic acid molecular structure lightbox
CAS RN: 1172579-62-2

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3,3-dimethylbutanoic acid

Product Availability

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3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260610 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260328 100mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260605 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-017124
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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 1172579-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1172579-62-2 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3,3-dimethylbutanoic acid

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3,3-dimethylbutanoic acid | Fmoc-N-Me-Tle-OH | MFCD27952009

Standard CAS: 1172579-62-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1172579-62-2
Multi CAS
Yes
Molecular Formula
C22H25NO4
Molecular Weight
367.400000
Exact Mass
367.178358
SMILES
CC(C)(C)[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-22(2,3)19(20(24)25)23(4)21(26)27-13-18-16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12,18-19H,13H2,1-4H3,(H,24,25)/t19-/m1/s1
InChIKey
IMZRODMJJYKXHI-LJQANCHMSA-N
Synonyms
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3,3-dimethylbutanoic acid Fmoc-N-Me-Tle-OH MFCD27952009 fmoc-n-methyl-l-tert-leucine L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N,3-dimethyl-

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
103.71
TPSA
66.84

LogP / Solubility

WLOGP
4.37
MLOGP
3.86
XLogP3
4.6
Consensus LogP
4.28
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.86

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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