CAS RN: 1884269-07-1
AHU377-d4
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251015 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1884269-07-1
- Purity/Analytical Methods: >99.0%
1884269-07-1 / 2,2,3,3-tetradeuterio-4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
Basic Information
CAS
1884269-07-1
Multi CAS
No
Molecular Formula
C24H29NO5
Molecular Weight
415.500000
Exact Mass
415.229680
SMILES
[2H]C([2H])(C(=O)N[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C[C@@H](C)C(=O)OCC)C([2H])([2H])C(=O)O
InChI
InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21+/m1/s1/i13D2,14D2
InChIKey
PYNXFZCZUAOOQC-JCZLLWNUSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
2
Molar refractivity
114.8
TPSA
92.7
LogP / Solubility
WLOGP
3.84
MLOGP
3.4
XLogP3
3.7
Consensus LogP
3.65
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.84
Class (SILICOS-IT)
Insoluble
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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