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CAS 1060815-90-8 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine molecular structure lightbox
CAS RN: 1060815-90-8

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

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251125 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260318 10g In stock Shenzhen, Chengdu Inquiry
Batchno.20260521 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260402 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251225 25g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250322 5g In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-007891
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1060815-90-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1060815-90-8 / 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine | DTXSID70680570 | 2-chloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine

Standard CAS: 1060815-90-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1060815-90-8
Multi CAS
No
Molecular Formula
C6H3ClIN3
Molecular Weight
279.460000
Exact Mass
278.906020
SMILES
C1=C(C2=CN=C(N=C2N1)Cl)I
InChI
InChI=1S/C6H3ClIN3/c7-6-10-1-3-4(8)2-9-5(3)11-6/h1-2H,(H,9,10,11)
InChIKey
CPGBAXNIILKLJF-UHFFFAOYSA-N
Synonyms
2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine DTXSID70680570 2-chloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine RefChem:258957 DTXCID60631319

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.62
TPSA
41.57

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.3
Consensus LogP
2.16
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
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

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