[email protected]
CAS 1005206-17-6 7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid molecular structure lightbox
CAS RN: 1005206-17-6

7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260513 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-001112
GET A QUOTE
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
Request Bulk Quote

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 1005206-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1005206-17-6 / 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid

7H-PYRROLO[2,3-D]PYRIMIDINE-4-CARBOXYLIC ACID | DTXSID90725513 | 7H-pyrrolo(2,3-d)pyrimidine-4-carboxylic acid

Standard CAS: 1005206-17-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1005206-17-6
Multi CAS
No
Molecular Formula
C7H5N3O2
Molecular Weight
163.130000
Exact Mass
163.038176
SMILES
C1=CNC2=NC=NC(=C21)C(=O)O
InChI
InChI=1S/C7H5N3O2/c11-7(12)5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,11,12)(H,8,9,10)
InChIKey
CSVBAOOXLRAOLW-UHFFFAOYSA-N
Synonyms
7H-PYRROLO[2,3-D]PYRIMIDINE-4-CARBOXYLIC ACID DTXSID90725513 7H-pyrrolo(2,3-d)pyrimidine-4-carboxylic acid RefChem:311494 DTXCID90676258

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.85
TPSA
78.87

LogP / Solubility

WLOGP
0.66
MLOGP
0.57
XLogP3
0.5
Consensus LogP
0.58
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.37
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)
-3.25

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] H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (33.3%): 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

Customers Also Viewed

Get In Touch

Contact Us