CAS RN: 318465-73-5
2-Carboxybenzoyl Amlodipine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS318465-73-5
- Purity/Analytical Methods: >99.0%
318465-73-5 / 2-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxy]ethylcarbamoyl]benzoic acid
Basic Information
CAS
318465-73-5
Multi CAS
No
Molecular Formula
C28H29CLN2O8
Molecular Weight
557.000000
Exact Mass
556.161244
InChI
InChI=1S/C28H29ClN2O8/c1-4-39-28(36)24-21(15-38-14-13-30-25(32)17-9-5-6-10-18(17)26(33)34)31-16(2)22(27(35)37-3)23(24)19-11-7-8-12-20(19)29/h5-12,23,31H,4,13-15H2,1-3H3,(H,30,32)(H,33,34)
InChIKey
IAYRABGXHCLELQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
3
Molar refractivity
142.26
TPSA
140.26
LogP / Solubility
WLOGP
3.44
MLOGP
3.07
XLogP3
4.4
Consensus LogP
3.64
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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