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CAS 163277-79-0 AC-GLN(TRT)-OH molecular structure lightbox
CAS RN: 163277-79-0

AC-GLN(TRT)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251218 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-070937
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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: ≥95%
  • 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 163277-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

163277-79-0 / (2S)-2-acetamido-5-oxo-5-(tritylamino)pentanoic acid

Standard CAS: 163277-79-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
163277-79-0
Multi CAS
No
Molecular Formula
C26H26N2O4
Molecular Weight
430.500000
Exact Mass
430.189257
SMILES
CC(=O)N[C@@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C26H26N2O4/c1-19(29)27-23(25(31)32)17-18-24(30)28-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-18H2,1H3,(H,27,29)(H,28,30)(H,31,32)/t23-/m0/s1
InChIKey
FYRZQQXVIHKJKQ-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
3
Molar refractivity
121.83
TPSA
95.5

LogP / Solubility

WLOGP
3.46
MLOGP
3.08
XLogP3
3.4
Consensus LogP
3.31
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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