[email protected]
CAS 473416-22-7 1H-INDAZOLE-1-CARBOXYLIC ACID,3-BROMO-5-NITRO-,1,1-DIMETHYLETHYL ESTER molecular structure lightbox
CAS RN: 473416-22-7

1H-INDAZOLE-1-CARBOXYLIC ACID,3-BROMO-5-NITRO-,1,1-DIMETHYLETHYL ESTER

  • Product code: SSC-154239
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: 1g, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 473416-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 4 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g >95% 1 In Stock Shanghai Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry

473416-22-7 / tert-butyl 3-bromo-5-nitroindazole-1-carboxylate

Standard CAS: 473416-22-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
473416-22-7
Multi CAS
Yes
Molecular Formula
BC12H12O4Rn3
Molecular Weight
342.150000
Exact Mass
341.001120
InChI
InChI=1S/C12H12BrN3O4/c1-12(2,3)20-11(17)15-9-5-4-7(16(18)19)6-8(9)10(13)14-15/h4-6H,1-3H3
InChIKey
BWYOEKHPBGLTHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
75.72
TPSA
87.26

LogP / Solubility

WLOGP
3.49
MLOGP
3.09
XLogP3
3.7
Consensus LogP
3.43
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us