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CAS 98088-04-1 2-PYRROLIDIN-1-YL-ISONICOTINIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 98088-04-1

2-PYRROLIDIN-1-YL-ISONICOTINIC ACID HYDROCHLORIDE

  • Product code: SSC-212537
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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: 0.1g, 0.25g, 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 98088-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

98088-04-1 / 2-pyrrolidin-1-ylpyridine-4-carboxylic acid

Standard CAS: 98088-04-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98088-04-1
Multi CAS
Yes
Molecular Formula
C10H12N2O2
Molecular Weight
192.210000
Exact Mass
192.089878
InChI
InChI=1S/C10H12N2O2/c13-10(14)8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKey
PQLHQGBNMJTAEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.64
TPSA
53.43

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.3
Consensus LogP
1.3
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-2.91

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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