CAS RN: 274676-10-7
(2S,4S)-1-Fmoc-4-(Allyloxycarbonylamino)-2-pyrrolidinecarboxylic acid
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.20250514 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS274676-10-7
- Purity/Analytical Methods: >99.0%
274676-10-7 / (2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(prop-2-enoxycarbonylamino)pyrrolidine-2-carboxylic acid
Basic Information
CAS
274676-10-7
Multi CAS
Yes
Molecular Formula
C24H24N2O6
Molecular Weight
436.500000
Exact Mass
436.163436
InChI
InChI=1S/C24H24N2O6/c1-2-11-31-23(29)25-15-12-21(22(27)28)26(13-15)24(30)32-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h2-10,15,20-21H,1,11-14H2,(H,25,29)(H,27,28)/t15-,21-/m0/s1
InChIKey
DSGCPQRUOSTFEF-BTYIYWSLSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
116.28
TPSA
105.17
LogP / Solubility
WLOGP
3.38
MLOGP
3
XLogP3
3.4
Consensus LogP
3.26
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
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)
-2.99
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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![CAS 274693-26-4 2-[[(3aS,4R,6S,6aR)-4-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy]ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/274693-26-4.gif)
![CAS 274693-49-1 (3aR,4S,6R,6aS)-6-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-2,2- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/274693-49-1.gif)