![CAS 552335-47-4 L-Proline, 1-[(2S)-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxo-8-nonen-1-yl]-4-hydroxy-, (4R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/552335-47-4.gif)
CAS RN: 552335-47-4
L-Proline, 1-[(2S)-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxo-8-nonen-1-yl]-4-hydroxy-, (4R)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260614 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS552335-47-4
- Purity/Analytical Methods: >99.0%
552335-47-4 / (2S,4R)-4-hydroxy-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
552335-47-4
Multi CAS
Yes
Molecular Formula
C19H32N2O6
Molecular Weight
384.500000
Exact Mass
384.226037
InChI
InChI=1S/C19H32N2O6/c1-5-6-7-8-9-10-14(20-18(26)27-19(2,3)4)16(23)21-12-13(22)11-15(21)17(24)25/h5,13-15,22H,1,6-12H2,2-4H3,(H,20,26)(H,24,25)/t13-,14+,15+/m1/s1
InChIKey
OMMAVELVJUFTFD-ILXRZTDVSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.74
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
100.2
TPSA
116.17
LogP / Solubility
WLOGP
2.06
MLOGP
1.84
XLogP3
2.5
Consensus LogP
2.13
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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