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CAS 76067-81-7 2-(Methacryloyloxy)ethyl 3,5-diaminobenzoate molecular structure lightbox
CAS RN: 76067-81-7

2-(Methacryloyloxy)ethyl 3,5-diaminobenzoate

  • Product code: SSC-185517
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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, 5g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 76067-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

76067-81-7 / 2-(2-methylprop-2-enoyloxy)ethyl 3,5-diaminobenzoate

Standard CAS: 76067-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76067-81-7
Multi CAS
No
Molecular Formula
C13H16N2O4
Molecular Weight
264.280000
Exact Mass
264.111007
InChI
InChI=1S/C13H16N2O4/c1-8(2)12(16)18-3-4-19-13(17)9-5-10(14)7-11(15)6-9/h5-7H,1,3-4,14-15H2,2H3
InChIKey
BZRAULNYWZRKMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
71.32
TPSA
104.64

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
1.3
Consensus LogP
1.14
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53

Drug-likeness / Medicinal Chemistry

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

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