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CAS 1738-86-9 N-Benzyloxycarbonylglycine 4-Nitrophenyl Ester molecular structure lightbox
CAS RN: 1738-86-9

N-Benzyloxycarbonylglycine 4-Nitrophenyl Ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250120 200mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-076298
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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: 10g
  • 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 1738-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

1738-86-9 / (4-nitrophenyl) 2-(phenylmethoxycarbonylamino)acetate

Standard CAS: 1738-86-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1738-86-9
Multi CAS
No
Molecular Formula
C16H14N2O6
Molecular Weight
330.290000
Exact Mass
330.085186
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H14N2O6/c19-15(24-14-8-6-13(7-9-14)18(21)22)10-17-16(20)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,20)
InChIKey
LHFNPUGRSYOPLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
83.36
TPSA
107.77

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
2.7
Consensus LogP
2.43
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
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)
-3.01

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

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P233, P260, P271, P273, P284, P304+P340, P342+P316, P391, P403, and P501

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