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CAS 103500-23-8 benzyl 1-formylcyclopropylcarbamate molecular structure lightbox
CAS RN: 103500-23-8

benzyl 1-formylcyclopropylcarbamate

  • Product code: SSC-005061
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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: 0.1g, 0.25g, 1g
  • 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 103500-23-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

103500-23-8 / benzyl N-(1-formylcyclopropyl)carbamate

BENZYL (1-FORMYLCYCLOPROPYL)CARBAMATE | benzyl N-(1-formylcyclopropyl)carbamate | SCHEMBL2715395

Standard CAS: 103500-23-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103500-23-8
Multi CAS
No
Molecular Formula
C12H13NO3
Molecular Weight
219.240000
Exact Mass
219.089543
SMILES
C1CC1(C=O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H13NO3/c14-9-12(6-7-12)13-11(15)16-8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,15)
InChIKey
VQLUEONQFAZVQG-UHFFFAOYSA-N
Synonyms
BENZYL (1-FORMYLCYCLOPROPYL)CARBAMATE benzyl N-(1-formylcyclopropyl)carbamate SCHEMBL2715395 SCHEMBL10556366 VQLUEONQFAZVQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.79
TPSA
55.4

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.3
Consensus LogP
1.46
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble

ADME

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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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