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CAS 65420-40-8 N-Boc-N’-xanthyl-L-asparagine molecular structure lightbox
CAS RN: 65420-40-8

N-Boc-N’-xanthyl-L-asparagine

  • Product code: SSC-175088
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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: 25g
  • Available purity: >98%
  • 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 65420-40-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >98% 0 Out of Stock Shenzhen Inquiry

65420-40-8 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid

Standard CAS: 65420-40-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65420-40-8
Multi CAS
Yes
Molecular Formula
C22H24N2O6
Molecular Weight
412.400000
Exact Mass
412.163436
InChI
InChI=1S/C22H24N2O6/c1-22(2,3)30-21(28)23-15(20(26)27)12-18(25)24-19-13-8-4-6-10-16(13)29-17-11-7-5-9-14(17)19/h4-11,15,19H,12H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m0/s1
InChIKey
YMGDQLXBNMRJMR-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
108.35
TPSA
113.96

LogP / Solubility

WLOGP
3.37
MLOGP
2.99
XLogP3
2.6
Consensus LogP
2.99
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85

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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