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CAS 1211572-02-9 methyl 4-(1-(tert-butoxycarbonyl)ethyl)benzoate molecular structure lightbox
CAS RN: 1211572-02-9

methyl 4-(1-(tert-butoxycarbonyl)ethyl)benzoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250911 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-022756
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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, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 1211572-02-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1211572-02-9 / methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate

Methyl 4-[1-(Boc-amino)ethyl]benzoate | MFCD24532698 | Methyl 4-(1-((tert-butoxycarbonyl)amino)ethyl)benzoate

Standard CAS: 1211572-02-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1211572-02-9
Multi CAS
Yes
Molecular Formula
C15H21NO4
Molecular Weight
279.330000
Exact Mass
279.147058
SMILES
CC(C1=CC=C(C=C1)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H21NO4/c1-10(16-14(18)20-15(2,3)4)11-6-8-12(9-7-11)13(17)19-5/h6-10H,1-5H3,(H,16,18)
InChIKey
LFNXGVQOIUBOOG-UHFFFAOYSA-N
Synonyms
Methyl 4-[1-(Boc-amino)ethyl]benzoate MFCD24532698 Methyl 4-(1-((tert-butoxycarbonyl)amino)ethyl)benzoate methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate SCHEMBL1725645

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.57
TPSA
64.63

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
2.7
Consensus LogP
2.82
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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