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CAS 140171-65-9 Amlodipine Diethyl Ester molecular structure lightbox
CAS RN: 140171-65-9

Amlodipine Diethyl Ester

  • Product code: SSC-050663
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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: 0.25g
  • 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 140171-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

140171-65-9 / diethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Standard CAS: 140171-65-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
140171-65-9
Multi CAS
No
Molecular Formula
C21H27ClN2O5
Molecular Weight
422.900000
Exact Mass
422.160850
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OCC)COCCN)C
InChI
InChI=1S/C21H27ClN2O5/c1-4-28-20(25)17-13(3)24-16(12-27-11-10-23)19(21(26)29-5-2)18(17)14-8-6-7-9-15(14)22/h6-9,18,24H,4-5,10-12,23H2,1-3H3
InChIKey
BGGLOZPVAWMSEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
110.19
TPSA
99.88

LogP / Solubility

WLOGP
2.66
MLOGP
2.36
XLogP3
3.4
Consensus LogP
2.81
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
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
Yes
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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