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CAS 143218-10-4 Cbz-3-(2-Naphthyl)-D-alanine molecular structure lightbox
CAS RN: 143218-10-4

Cbz-3-(2-Naphthyl)-D-alanine

  • Product code: SSC-054582
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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: 10g
  • 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 143218-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

143218-10-4 / (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid

Standard CAS: 143218-10-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
143218-10-4
Multi CAS
No
Molecular Formula
C21H19NO4
Molecular Weight
349.400000
Exact Mass
349.131408
SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)O
InChI
InChI=1S/C21H19NO4/c23-20(24)19(22-21(25)26-14-15-6-2-1-3-7-15)13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKey
XBRPIBMAJOTVHG-LJQANCHMSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
98.84
TPSA
75.63

LogP / Solubility

WLOGP
3.76
MLOGP
3.33
XLogP3
4.3
Consensus LogP
3.8
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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