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CAS 1119280-66-8 2-CHLORO-5H-PYRROLO[3,2-D]PYRIMIDINE molecular structure lightbox
CAS RN: 1119280-66-8

2-CHLORO-5H-PYRROLO[3,2-D]PYRIMIDINE

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251126 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260409 1g In stock Shenzhen Inquiry
Batchno.20250511 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250426 25g Out of stock Inquiry
Batchno.20250917 5g Out of stock Inquiry
  • Product code: SSC-012402
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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, 0.25g, 0.1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1119280-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 3 In Stock Shenzhen Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

1119280-66-8 / 2-chloro-5H-pyrrolo[3,2-d]pyrimidine

2-Chloro-5H-pyrrolo[3,2-d]pyrimidine | DTXSID40672149 | 2-Chloro-5H-pyrrolo(3,2-d)pyrimidine

Standard CAS: 1119280-66-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1119280-66-8
Multi CAS
Yes
Molecular Formula
C6H4ClN3
Molecular Weight
153.570000
Exact Mass
153.009375
SMILES
C1=CNC2=CN=C(N=C21)Cl
InChI
InChI=1S/C6H4ClN3/c7-6-9-3-5-4(10-6)1-2-8-5/h1-3,8H
InChIKey
LWPPASWKWXDDFK-UHFFFAOYSA-N
Synonyms
2-Chloro-5H-pyrrolo[3,2-d]pyrimidine DTXSID40672149 2-Chloro-5H-pyrrolo(3,2-d)pyrimidine RefChem:259017 DTXCID10622898

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.9
TPSA
41.57

LogP / Solubility

WLOGP
1.61
MLOGP
1.41
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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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