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CAS 114527-28-5 4-Methyl-4′-(3-carboxypropyl)-2,2′-bipyridine molecular structure lightbox
CAS RN: 114527-28-5

4-Methyl-4′-(3-carboxypropyl)-2,2′-bipyridine

Product Availability

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6 package records5 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250322 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251207 100mg In stock Shanghai Inquiry
Batchno.20251224 1g In stock Shanghai Inquiry
Batchno.20251121 250mg In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250916 100mg / 500mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 100mg / 500mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-014275
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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: ＞95%
  • 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 114527-28-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

114527-28-5 / 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid

4-(4'-Methyl-[2,2'-bipyridin]-4-yl)butanoic acid | 4-{4'-METHYL-[2,2'-BIPYRIDIN]-4-YL}BUTANOIC ACID | 4-(4'-Methyl-(2,2'-bipyridin)-4-yl)butanoic acid

Standard CAS: 114527-28-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114527-28-5
Multi CAS
Yes
Molecular Formula
C15H16N2O2
Molecular Weight
256.300000
Exact Mass
256.121178
SMILES
CC1=CC(=NC=C1)C2=NC=CC(=C2)CCCC(=O)O
InChI
InChI=1S/C15H16N2O2/c1-11-5-7-16-13(9-11)14-10-12(6-8-17-14)3-2-4-15(18)19/h5-10H,2-4H2,1H3,(H,18,19)
InChIKey
LFMPLEMXVCGLMX-UHFFFAOYSA-N
Synonyms
4-(4'-Methyl-[2,2'-bipyridin]-4-yl)butanoic acid 4-{4'-METHYL-[2,2'-BIPYRIDIN]-4-YL}BUTANOIC ACID 4-(4'-Methyl-(2,2'-bipyridin)-4-yl)butanoic acid RefChem:513432 970-790-8

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.78
TPSA
63.08

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
2
Consensus LogP
2.46
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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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