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CAS 1012785-51-1 2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine molecular structure lightbox
CAS RN: 1012785-51-1

2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 100g Out of stock Inquiry
Batchno.20260626 10g In stock Shanghai Inquiry
Batchno.20260406 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260601 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260525 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-002116
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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, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 1012785-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Shenzhen Inquiry
25g >95% 5 In Stock Beijing Inquiry
100g >95% 5 In Stock Hong Kong Inquiry

1012785-51-1 / 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

2,4-DICHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDINE | DTXSID60725585 | 2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine

Standard CAS: 1012785-51-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1012785-51-1
Multi CAS
No
Molecular Formula
C6H2Cl2IN3
Molecular Weight
313.910000
Exact Mass
312.867050
SMILES
C1=C(C2=C(N1)N=C(N=C2Cl)Cl)I
InChI
InChI=1S/C6H2Cl2IN3/c7-4-3-2(9)1-10-5(3)12-6(8)11-4/h1H,(H,10,11,12)
InChIKey
RIRSSBIXHXMTLS-UHFFFAOYSA-N
Synonyms
2,4-DICHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDINE DTXSID60725585 2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine RefChem:246239 DTXCID50676330

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.63
TPSA
41.57

LogP / Solubility

WLOGP
2.87
MLOGP
2.54
XLogP3
3.2
Consensus LogP
2.87
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

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 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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