CAS RN: 1279200-03-1
BENAZEPRIL-D5
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.20250519 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1279200-03-1
- Purity/Analytical Methods: >99.0%
1279200-03-1 / 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
Basic Information
CAS
1279200-03-1
Multi CAS
No
Molecular Formula
C24H28N2O5
Molecular Weight
429.500000
Exact Mass
429.231206
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O)[2H])[2H]
InChI
InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1/i3D,4D,5D,8D,9D
InChIKey
XPCFTKFZXHTYIP-DPINEGQSSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
116.86
TPSA
95.94
LogP / Solubility
WLOGP
2.57
MLOGP
2.29
XLogP3
1.3
Consensus LogP
2.05
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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