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CAS 129460-17-9 L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1,4-bis(1,1-dimethylethyl) ester molecular structure lightbox
CAS RN: 129460-17-9

L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1,4-bis(1,1-dimethylethyl) ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-036470
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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 129460-17-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

129460-17-9 / ditert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioate

Standard CAS: 129460-17-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129460-17-9
Multi CAS
No
Molecular Formula
C27H33NO6
Molecular Weight
467.600000
Exact Mass
467.230788
SMILES
CC(C)(C)OC(=O)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C27H33NO6/c1-26(2,3)33-23(29)15-22(24(30)34-27(4,5)6)28-25(31)32-16-21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-14,21-22H,15-16H2,1-6H3,(H,28,31)/t22-/m0/s1
InChIKey
VJQWTGNHPZYRMD-QFIPXVFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
128.3
TPSA
90.93

LogP / Solubility

WLOGP
4.97
MLOGP
4.4
XLogP3
4.8
Consensus LogP
4.72
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.54
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)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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