[email protected]
CAS 1081-04-5 5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 1081-04-5

5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250904 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260409 10g In stock Inquiry
Batchno.20260611 1g In stock Inquiry
Batchno.20250114 250mg In stock Inquiry
Batchno.20251109 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250125 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-009363
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: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 1081-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1081-04-5 / ethyl 5-bromo-1H-indazole-3-carboxylate

ethyl 5-bromo-2H-indazole-3-carboxylate | RefChem:595711 | 863-198-5

Standard CAS: 1081-04-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1081-04-5
Multi CAS
No
Molecular Formula
C10H9BrN2O2
Molecular Weight
269.090000
Exact Mass
267.984740
SMILES
CCOC(=O)C1=NNC2=C1C=C(C=C2)Br
InChI
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-7-5-6(11)3-4-8(7)12-13-9/h3-5H,2H2,1H3,(H,12,13)
InChIKey
DKVWLGFTRAWGAD-UHFFFAOYSA-N
Synonyms
ethyl 5-bromo-2H-indazole-3-carboxylate RefChem:595711 863-198-5 ETHYL 5-BROMO-1H-INDAZOLE-3-CARBOXYLATE 5-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.75
TPSA
54.98

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
2.8
Consensus LogP
2.5
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us