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CAS 248921-67-7 Boc-D-Ser(tBu)-OH molecular structure lightbox
CAS RN: 248921-67-7

Boc-D-Ser(tBu)-OH

  • Product code: SSC-120078
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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: 5g
  • Available purity: ＞97%
  • 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 248921-67-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

248921-67-7 / N-cyclohexylcyclohexanamine;(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 248921-67-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
248921-67-7
Multi CAS
No
Molecular Formula
C24H46N2O5
Molecular Weight
442.600000
Exact Mass
442.340673
SMILES
CC(C)(C)OC[C@@H](C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C12H23NO5.C12H23N/c1-11(2,3)17-7-8(9(14)15)13-10(16)18-12(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,13,16)(H,14,15);11-13H,1-10H2/t8-;/m0./s1
InChIKey
AIEUUHIXSUNTGV-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.92
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
123.38
TPSA
96.89

LogP / Solubility

WLOGP
5.02
MLOGP
4.45
XLogP3
5.02
Consensus LogP
4.83
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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