CAS RN: 2173291-00-2
Amlodipine N-Lactoside
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.20251106 | 1mg / 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2173291-00-2
- Purity/Analytical Methods: >99.0%
2173291-00-2 / 3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-2-[2-[[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Basic Information
CAS
2173291-00-2
Multi CAS
No
Molecular Formula
C32H45ClN2O15
Molecular Weight
733.200000
Exact Mass
732.250846
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C32H45ClN2O15/c1-4-47-31(44)22-17(35-14(2)20(30(43)45-3)21(22)15-7-5-6-8-16(15)33)13-46-10-9-34-29-26(41)25(40)28(19(12-37)48-29)50-32-27(42)24(39)23(38)18(11-36)49-32/h5-8,18-19,21,23-29,32,34-42H,4,9-13H2,1-3H3/t18-,19-,21?,23+,24+,25-,26-,27-,28-,29?,32+/m1/s1
InChIKey
PVUFUYMVELLVFD-XHJFUNIMSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
14
H-bond acceptors
17
H-bond donors
9
Molar refractivity
170.93
TPSA
255.19
LogP / Solubility
WLOGP
-2.48
MLOGP
-2.12
XLogP3
-0.8
Consensus LogP
-1.8
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.95
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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