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CAS 1006037-03-1 Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester molecular structure lightbox
CAS RN: 1006037-03-1

Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260201 1g In stock Shanghai Inquiry
Batchno.20260526 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250128 25g In stock Shanghai Inquiry
Batchno.20250328 5g In stock Shanghai Inquiry
  • Product code: SSC-001217
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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: 0.25g, 1g, 5g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1006037-03-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 4 In Stock Shanghai Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry

1006037-03-1 / methyl 4-(1-aminocyclopropyl)benzoate

MLS003115461 | DTXSID50313713 | RefChem:357303

Standard CAS: 1006037-03-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1006037-03-1
Multi CAS
Yes
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
COC(=O)C1=CC=C(C=C1)C2(CC2)N
InChI
InChI=1S/C11H13NO2/c1-14-10(13)8-2-4-9(5-3-8)11(12)6-7-11/h2-5H,6-7,12H2,1H3
InChIKey
JUMQWXLIAYMPHT-UHFFFAOYSA-N
Synonyms
MLS003115461 DTXSID50313713 RefChem:357303 DTXCID50264837 5,5-Dimethyl-4-phenyloxazolidin-2-one

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.88
TPSA
52.32

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.5
Consensus LogP
1.39
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.88

Drug-likeness / Medicinal Chemistry

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

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 (100%): 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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