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CAS 268542-15-0 Boc-(R,S)-3-amino-3-(2-naphthyl)-proponic acid molecular structure lightbox
CAS RN: 268542-15-0

Boc-(R,S)-3-amino-3-(2-naphthyl)-proponic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-125195
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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: ≥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 268542-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

268542-15-0 / 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid

Standard CAS: 268542-15-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
268542-15-0
Multi CAS
No
Molecular Formula
C18H21NO4
Molecular Weight
315.400000
Exact Mass
315.147058
SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(11-16(20)21)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKey
NCQJBPXXRXOIJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
88.31
TPSA
75.63

LogP / Solubility

WLOGP
3.88
MLOGP
3.43
XLogP3
3.2
Consensus LogP
3.5
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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)
-1.89

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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