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CAS 1424972-75-7 D-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl- molecular structure lightbox
CAS RN: 1424972-75-7

D-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-

  • Product code: SSC-053306
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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 1424972-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1424972-75-7 / (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 1424972-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1424972-75-7
Multi CAS
No
Molecular Formula
C24H28N2O6
Molecular Weight
440.500000
Exact Mass
440.194737
SMILES
CC(C)(C)OC(=O)NC[C@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H28N2O6/c1-24(2,3)32-22(29)25-13-20(21(27)28)26(4)23(30)31-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,13-14H2,1-4H3,(H,25,29)(H,27,28)/t20-/m1/s1
InChIKey
UOXBFJIPNISOMC-HXUWFJFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
118.49
TPSA
105.17

LogP / Solubility

WLOGP
3.85
MLOGP
3.41
XLogP3
3.6
Consensus LogP
3.62
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
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)
-2.68

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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