CAS RN: 951775-32-9
L-Lysyl-L-alpha-aspartyl-L-valyl-N5-(aminocarbonyl)-L-ornithine
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.20260302 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS951775-32-9
- Purity/Analytical Methods: >99.0%
951775-32-9 / (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]pentanoic acid
Basic Information
CAS
951775-32-9
Multi CAS
No
Molecular Formula
C21H39N7O8
Molecular Weight
517.600000
Exact Mass
517.286011
InChI
InChI=1S/C21H39N7O8/c1-11(2)16(19(33)26-13(20(34)35)7-5-9-25-21(24)36)28-18(32)14(10-15(29)30)27-17(31)12(23)6-3-4-8-22/h11-14,16H,3-10,22-23H2,1-2H3,(H,26,33)(H,27,31)(H,28,32)(H,29,30)(H,34,35)(H3,24,25,36)/t12-,13-,14-,16-/m0/s1
InChIKey
NYNYFYFJGZGLIV-YXWQFLTLSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.71
Rotatable bonds
18
H-bond acceptors
8
H-bond donors
9
Molar refractivity
128.22
TPSA
269.06
LogP / Solubility
WLOGP
-2.44
MLOGP
-2.11
XLogP3
-7.1
Consensus LogP
-3.88
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-7.61
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
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