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CAS 245365-64-4 N-Benzyloxycarbonyl-2-nitrobenzenesulfonamide molecular structure lightbox
CAS RN: 245365-64-4

N-Benzyloxycarbonyl-2-nitrobenzenesulfonamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-119217
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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: 5g
  • 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 245365-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shanghai Inquiry

245365-64-4 / benzyl N-(2-nitrophenyl)sulfonylcarbamate

Standard CAS: 245365-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
245365-64-4
Multi CAS
No
Molecular Formula
C14H12N2O6S
Molecular Weight
336.320000
Exact Mass
336.041607
SMILES
C1=CC=C(C=C1)COC(=O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O6S/c17-14(22-10-11-6-2-1-3-7-11)15-23(20,21)13-9-5-4-8-12(13)16(18)19/h1-9H,10H2,(H,15,17)
InChIKey
BFQXFHUTPNBFSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
80.04
TPSA
115.61

LogP / Solubility

WLOGP
2.21
MLOGP
1.96
XLogP3
2.6
Consensus LogP
2.26
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
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
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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