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CAS 152120-55-3 N,N’-Bis(carbobenzoxy)-1H-pyrazole-1-carboxamidine molecular structure lightbox
CAS RN: 152120-55-3

N,N’-Bis(carbobenzoxy)-1H-pyrazole-1-carboxamidine

Product Availability

Choose a grade to view its available package options.

9 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251219 1g In stock Inquiry
Batchno.20260317 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250913 100g In stock Tianjin, Chengdu Inquiry
Batchno.20250309 10g Out of stock Inquiry
Batchno.20251001 1g In stock Shanghai, Chengdu Inquiry
Batchno.20251003 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batchno.20250312 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250215 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250515 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-061893
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 152120-55-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

152120-55-3 / benzyl N-[phenylmethoxycarbonylamino(pyrazol-1-yl)methylidene]carbamate

Standard CAS: 152120-55-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
152120-55-3
Multi CAS
No
Molecular Formula
C20H18N4O4
Molecular Weight
378.400000
Exact Mass
378.132805
SMILES
C1=CC=C(C=C1)COC(=O)NC(=NC(=O)OCC2=CC=CC=C2)N3C=CC=N3
InChI
InChI=1S/C20H18N4O4/c25-19(27-14-16-8-3-1-4-9-16)22-18(24-13-7-12-21-24)23-20(26)28-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23,25,26)
InChIKey
NRBUVVTTYMTSKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
101.45
TPSA
94.81

LogP / Solubility

WLOGP
3.35
MLOGP
2.97
XLogP3
4.1
Consensus LogP
3.47
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble

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)
-2.65

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
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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