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CAS 1392219-11-2 (S)-FMOC-BETA-DIMETHYL-ASP(OTBU)-OH molecular structure lightbox
CAS RN: 1392219-11-2

(S)-FMOC-BETA-DIMETHYL-ASP(OTBU)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-049637
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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 1392219-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1392219-11-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

Standard CAS: 1392219-11-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1392219-11-2
Multi CAS
No
Molecular Formula
C25H29NO6
Molecular Weight
439.500000
Exact Mass
439.199488
SMILES
CC(C)(C)OC(=O)C(C)(C)[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H29NO6/c1-24(2,3)32-22(29)25(4,5)20(21(27)28)26-23(30)31-14-19-17-12-8-6-10-15(17)16-11-7-9-13-18(16)19/h6-13,19-20H,14H2,1-5H3,(H,26,30)(H,27,28)/t20-/m1/s1
InChIKey
DJGFHXKITHLQAM-HXUWFJFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
119.25
TPSA
101.93

LogP / Solubility

WLOGP
4.35
MLOGP
3.85
XLogP3
4.4
Consensus LogP
4.2
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.84
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)
-2.32

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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