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CAS 1060815-89-5 7H-pyrrolo[2,3-d]pyriMidine-5-carbaldehyde molecular structure lightbox
CAS RN: 1060815-89-5

7H-pyrrolo[2,3-d]pyriMidine-5-carbaldehyde

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260526 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250426 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250520 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260610 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260213 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-007890
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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: ＞97%
  • 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 1060815-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1060815-89-5 / 7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

7h-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde | DTXSID80597741 | 7H-pyrrolo(2,3-d)pyrimidine-5-carbaldehyde

Standard CAS: 1060815-89-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1060815-89-5
Multi CAS
Yes
Molecular Formula
C7H5N3O
Molecular Weight
147.130000
Exact Mass
147.043262
SMILES
C1=C(C2=CN=CN=C2N1)C=O
InChI
InChI=1S/C7H5N3O/c11-3-5-1-9-7-6(5)2-8-4-10-7/h1-4H,(H,8,9,10)
InChIKey
QMGYOQXVUMVWGT-UHFFFAOYSA-N
Synonyms
7h-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde DTXSID80597741 7H-pyrrolo(2,3-d)pyrimidine-5-carbaldehyde RefChem:547137 DTXCID30548501

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.28
TPSA
58.64

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.1
Consensus LogP
0.51
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

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