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CAS 74936-72-4 Monomethyl 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate molecular structure lightbox
CAS RN: 74936-72-4

Monomethyl 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260201 1g In stock Inquiry
Batchno.20250215 25g In stock Inquiry
Batchno.20250116 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251020 100g In stock Shanghai Inquiry
Batchno.20260701 10g In stock Shanghai, Tianjin Inquiry
Batchno.20260427 25g In stock Shanghai Inquiry
Batchno.20260521 500g Out of stock Inquiry
Batchno.20250603 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-184415
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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: 25g, 100g
  • 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 74936-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

74936-72-4 / 5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Standard CAS: 74936-72-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74936-72-4
Multi CAS
Yes
Molecular Formula
C16H16N2O6
Molecular Weight
332.310000
Exact Mass
332.100836
InChI
InChI=1S/C16H16N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-5-4-6-11(7-10)18(22)23/h4-7,14,17H,1-3H3,(H,19,20)
InChIKey
JPXPPUOCSLMCHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
84.02
TPSA
118.77

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
2.2
Consensus LogP
2.05
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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