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CAS 124676-19-3 BENZOTRIAZOL-1-YL-BENZYLOXYCARBONYLAMINO-ACETIC ACID molecular structure lightbox
CAS RN: 124676-19-3

BENZOTRIAZOL-1-YL-BENZYLOXYCARBONYLAMINO-ACETIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260325 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-028775
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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 124676-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

124676-19-3 / 2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)acetic acid

Standard CAS: 124676-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124676-19-3
Multi CAS
No
Molecular Formula
C16H14N4O4
Molecular Weight
326.310000
Exact Mass
326.101505
SMILES
C1=CC=C(C=C1)COC(=O)NC(C(=O)O)N2C3=CC=CC=C3N=N2
InChI
InChI=1S/C16H14N4O4/c21-15(22)14(20-13-9-5-4-8-12(13)18-19-20)17-16(23)24-10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,23)(H,21,22)
InChIKey
BNCGQJZQVLAXAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
83.96
TPSA
106.34

LogP / Solubility

WLOGP
1.94
MLOGP
1.72
XLogP3
2.2
Consensus LogP
1.95
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

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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