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CAS 1152475-50-7 2-Chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine molecular structure lightbox
CAS RN: 1152475-50-7

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-014928
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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: 1g
  • 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 1152475-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1152475-50-7 / 2-chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine

2-chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine | MFCD12406130 | 5H-Pyrrolo[3,2-d]pyrimidine, 2-chloro-7-iodo-

Standard CAS: 1152475-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1152475-50-7
Multi CAS
No
Molecular Formula
C6H3ClIN3
Molecular Weight
279.460000
Exact Mass
278.906020
SMILES
C1=C(C2=NC(=NC=C2N1)Cl)I
InChI
InChI=1S/C6H3ClIN3/c7-6-10-2-4-5(11-6)3(8)1-9-4/h1-2,9H
InChIKey
INKBZIDRWUSKPM-UHFFFAOYSA-N
Synonyms
2-chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine MFCD12406130 5H-Pyrrolo[3,2-d]pyrimidine, 2-chloro-7-iodo- SCHEMBL1674215 DTXSID80670664

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
Consensus LogP
2.06
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

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