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CAS 1246471-36-2 3-Bromo-6-chloro-1H-indole-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1246471-36-2

3-Bromo-6-chloro-1H-indole-1-carboxylic acid tert-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250628 250mg / 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-028670
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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: 1g, 5g, 0.25g, 25g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • 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 1246471-36-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 4 In Stock Hong Kong Inquiry
1g >95% 4 In Stock Beijing Inquiry
5g -- 3 In Stock Hong Kong Inquiry
5g >95% 3 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
25g -- 1 In Stock Beijing Inquiry
25g >95% 1 In Stock Shanghai Inquiry
10g -- 0 Out of Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

1246471-36-2 / tert-butyl 3-bromo-6-chloroindole-1-carboxylate

Standard CAS: 1246471-36-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1246471-36-2
Multi CAS
No
Molecular Formula
C13H13BrClNO2
Molecular Weight
330.600000
Exact Mass
328.981820
SMILES
CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)Cl)Br
InChI
InChI=1S/C13H13BrClNO2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-8(15)6-11(9)16/h4-7H,1-3H3
InChIKey
BZZPVBVOSNRGHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
76.28
TPSA
31.23

LogP / Solubility

WLOGP
4.84
MLOGP
4.28
XLogP3
4.6
Consensus LogP
4.57
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
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

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