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CAS 885954-13-2 4-PYRIDIN-3-YL-1H-PYRROLE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 885954-13-2

4-PYRIDIN-3-YL-1H-PYRROLE-3-CARBOXYLIC ACID

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260628 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250414 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20260408 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250304 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS885954-13-2
  • Purity/Analytical Methods: >99.0%
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885954-13-2 / 4-pyridin-3-yl-1H-pyrrole-3-carboxylic acid

Standard CAS: 885954-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885954-13-2
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
InChI
InChI=1S/C10H8N2O2/c13-10(14)9-6-12-5-8(9)7-2-1-3-11-4-7/h1-6,12H,(H,13,14)
InChIKey
MAGYOMUEXSZVNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.98
TPSA
65.98

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
0.8
Consensus LogP
1.38
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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