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CAS 721958-74-3 Bis(aminoethoxy) Amlodipine molecular structure lightbox
CAS RN: 721958-74-3

Bis(aminoethoxy) Amlodipine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 5mg / 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS721958-74-3
  • Purity/Analytical Methods: >99.0%
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721958-74-3 / 5-O-ethyl 3-O-methyl 2,6-bis(2-aminoethoxymethyl)-4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Standard CAS: 721958-74-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
721958-74-3
Multi CAS
Yes
Molecular Formula
C22H30CLN3O6
Molecular Weight
467.900000
Exact Mass
467.182313
InChI
InChI=1S/C22H30ClN3O6/c1-3-32-22(28)20-17(13-31-11-9-25)26-16(12-30-10-8-24)19(21(27)29-2)18(20)14-6-4-5-7-15(14)23/h4-7,18,26H,3,8-13,24-25H2,1-2H3
InChIKey
BHRYCUURXPBYOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
12
H-bond acceptors
9
H-bond donors
3
Molar refractivity
119.78
TPSA
135.13

LogP / Solubility

WLOGP
1.22
MLOGP
1.11
XLogP3
1.3
Consensus LogP
1.21
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.71

Drug-likeness / Medicinal Chemistry

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

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