[email protected]
CAS 73833-13-3 methyl 2-(tert-butoxycarbonyl((2′-cyanobiphenyl-4-yl)methyl)amino)-3-nitrobenzoate molecular structure lightbox
CAS RN: 73833-13-3

methyl 2-(tert-butoxycarbonyl((2′-cyanobiphenyl-4-yl)methyl)amino)-3-nitrobenzoate

  • Product code: SSC-183261
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 73833-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry

73833-13-3 / methyl 2-carbonochloridoyl-3-nitrobenzoate

Standard CAS: 73833-13-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73833-13-3
Multi CAS
Yes
Molecular Formula
C9H6CLNO5
Molecular Weight
243.600000
Exact Mass
242.993450
InChI
InChI=1S/C9H6ClNO5/c1-16-9(13)5-3-2-4-6(11(14)15)7(5)8(10)12/h2-4H,1H3
InChIKey
AIRPKOVNEJZDFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
54.62
TPSA
86.51

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
2.1
Consensus LogP
1.8
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96

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

Customers Also Viewed

Get In Touch

Contact Us