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CAS 1060816-58-1 5-Bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine molecular structure lightbox
CAS RN: 1060816-58-1

5-Bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine

Product Availability

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7 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 100g Out of stock Inquiry
Batchno.20260327 10g Out of stock Inquiry
Batchno.20260613 1g In stock Shanghai Inquiry
Batchno.20251026 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250503 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai Inquiry
Batchno.20250715 25g In stock Chengdu Inquiry
Batchno.20260125 5g Out of stock Inquiry
  • Product code: SSC-007907
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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: 0.25g, 1g, 5g, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 1060816-58-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 1 In Stock Shenzhen Inquiry
1g ≥98% 1 In Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry

1060816-58-1 / 5-bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine

5-Bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine | DTXSID10672015 | 5-Bromo-2-chloro-7H-pyrrolo(2,3-d)pyrimidine

Standard CAS: 1060816-58-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1060816-58-1
Multi CAS
Yes
Molecular Formula
C6H3BrClN3
Molecular Weight
232.460000
Exact Mass
230.919890
SMILES
C1=C(C2=CN=C(N=C2N1)Cl)Br
InChI
InChI=1S/C6H3BrClN3/c7-4-2-9-5-3(4)1-10-6(8)11-5/h1-2H,(H,9,10,11)
InChIKey
SQQIUDPUHXGYOS-UHFFFAOYSA-N
Synonyms
5-Bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine DTXSID10672015 5-Bromo-2-chloro-7H-pyrrolo(2,3-d)pyrimidine RefChem:301616 DTXCID80622764

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.6
TPSA
41.57

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.3
Consensus LogP
2.25
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.45

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)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger 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+P316, 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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