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CAS 1082750-59-1 (2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-2-(2-NAPHTHYL)ACETIC ACID molecular structure lightbox
CAS RN: 1082750-59-1

(2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-2-(2-NAPHTHYL)ACETIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-009583
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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 1082750-59-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1082750-59-1 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetic acid

2-{[(tert-butoxy)carbonyl]amino}-2-(naphthalen-2-yl)acetic acid | 2-(((tert-butoxy)carbonyl)amino)-2-(naphthalen-2-yl)acetic acid | RefChem:447054

Standard CAS: 1082750-59-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1082750-59-1
Multi CAS
Yes
Molecular Formula
C17H19NO4
Molecular Weight
301.340000
Exact Mass
301.131408
SMILES
CC(C)(C)OC(=O)N[C@@H](C1=CC2=CC=CC=C2C=C1)C(=O)O
InChI
InChI=1S/C17H19NO4/c1-17(2,3)22-16(21)18-14(15(19)20)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14H,1-3H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKey
MQCLXWDVGKUKHB-AWEZNQCLSA-N
Synonyms
2-{[(tert-butoxy)carbonyl]amino}-2-(naphthalen-2-yl)acetic acid 2-(((tert-butoxy)carbonyl)amino)-2-(naphthalen-2-yl)acetic acid RefChem:447054 893-863-5 2-(Boc-amino)-2-(2-naphthyl)acetic Acid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
83.69
TPSA
75.63

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
3.5
Consensus LogP
3.36
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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