CAS RN: 51798-45-9
ELASTATINAL
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251112 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS51798-45-9
- Purity/Analytical Methods: >99.0%
51798-45-9 / 2-[[2-[[5-amino-1,5-dioxo-1-(1-oxopropan-2-ylamino)pentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
Basic Information
CAS
51798-45-9
Multi CAS
Yes
Molecular Formula
C21H36N8O7
Molecular Weight
512.600000
Exact Mass
512.270696
InChI
InChI=1S/C21H36N8O7/c1-10(2)8-14(19(34)35)28-21(36)29-16(12-6-7-24-20(23)27-12)18(33)26-13(4-5-15(22)31)17(32)25-11(3)9-30/h9-14,16H,4-8H2,1-3H3,(H2,22,31)(H,25,32)(H,26,33)(H,34,35)(H3,23,24,27)(H2,28,29,36)/t11-,12-,13-,14-,16-/m0/s1
InChIKey
IJWCGVPEDDQUDE-YGJAXBLXSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.67
Rotatable bonds
14
H-bond acceptors
9
H-bond donors
8
Molar refractivity
128.39
TPSA
247.2
LogP / Solubility
WLOGP
-2.72
MLOGP
-2.35
XLogP3
-2.6
Consensus LogP
-2.56
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-7.78
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
6.5
Customers Also Viewed
-
1,3,5-Triazine,2,4-dichloro-6-(4-dibenzofuranyl)-
- CAS RN: 51800-19-2
- Product Code: SSC-158789
-
3-HEPTAFLUOROBUTYRYL-(+)-CAMPHOR
- CAS RN: 51800-99-8
- Product Code: starshine_CAS51800-99-8
- Purity/Analytical method: >99.0%
-
5-(CHLOROMETHYL)-3-(3-CHLOROPHENYL)-1,2,4-OXADIAZOLE
- CAS RN: 51802-78-9
- Product Code: SSC-158791
-
3,8-Di-O-Methylellagic acid 2-O-glucoside
- CAS RN: 51803-68-0
- Product Code: starshine_CAS51803-68-0
- Purity/Analytical method: >99.0%
-
Dihydrooxoepistephamiersine
- CAS RN: 51804-69-4
- Product Code: starshine_CAS51804-69-4
- Purity/Analytical method: >99.0%
-
2-Amino-2-methylpropanol-d6
- CAS RN: 51805-95-9
- Product Code: starshine_CAS51805-95-9
- Purity/Analytical method: >99.0%
