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CAS 915413-42-2 (3-bromo-5-iodophenyl)carbamic acid tert-butyl ester molecular structure lightbox
CAS RN: 915413-42-2

(3-bromo-5-iodophenyl)carbamic acid tert-butyl ester

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250222 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20250302 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250413 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-204789
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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
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 915413-42-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

915413-42-2 / tert-butyl N-(3-bromo-5-iodophenyl)carbamate

Standard CAS: 915413-42-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
915413-42-2
Multi CAS
No
Molecular Formula
C11H13BRINO2
Molecular Weight
398.030000
Exact Mass
396.917440
InChI
InChI=1S/C11H13BrINO2/c1-11(2,3)16-10(15)14-9-5-7(12)4-8(13)6-9/h4-6H,1-3H3,(H,14,15)
InChIKey
KQAOZWJVDKYOEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.72
TPSA
38.33

LogP / Solubility

WLOGP
4.4
MLOGP
3.9
XLogP3
3.8
Consensus LogP
4.03
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02

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

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