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CAS 709665-73-6 Methyl 2-(4-bromophenyl)-2-((tert-butoxycarbonyl)amino)acetate molecular structure lightbox
CAS RN: 709665-73-6

Methyl 2-(4-bromophenyl)-2-((tert-butoxycarbonyl)amino)acetate

  • Product code: SSC-180661
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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, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 709665-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 3 In Stock Hong Kong Inquiry
0.25g >95% 3 In Stock Beijing Inquiry
1g >95% 3 In Stock Shenzhen Inquiry
5g >95% 3 In Stock Shanghai Inquiry
10g >95% 3 In Stock Shanghai Inquiry

709665-73-6 / methyl 2-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Standard CAS: 709665-73-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
709665-73-6
Multi CAS
Yes
Molecular Formula
BC14H18O4Rn
Molecular Weight
344.200000
Exact Mass
343.041920
InChI
InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(18)16-11(12(17)19-4)9-5-7-10(15)8-6-9/h5-8,11H,1-4H3,(H,16,18)
InChIKey
WBOPTLASVNELEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.27
TPSA
64.63

LogP / Solubility

WLOGP
3.19
MLOGP
2.82
XLogP3
3.2
Consensus LogP
3.07
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

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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