CAS RN: 65189-71-1
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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.20260410 | 1mg / 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS65189-71-1
- Purity/Analytical Methods: >99.0%
65189-71-1 / 2-[[2-[[2-[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetic acid
Basic Information
CAS
65189-71-1
Multi CAS
Yes
Molecular Formula
C32H61N13O9
Molecular Weight
771.900000
Exact Mass
771.471521
InChI
InChI=1S/C32H61N13O9/c1-16(2)12-19(33)26(50)42-21(9-7-11-39-32(36)37)29(53)43-20(8-6-10-38-31(34)35)28(52)41-18(5)25(49)45-23(15-46)30(54)44-22(13-17(3)4)27(51)40-14-24(47)48/h16-23,46H,6-15,33H2,1-5H3,(H,40,51)(H,41,52)(H,42,50)(H,43,53)(H,44,54)(H,45,49)(H,47,48)(H4,34,35,38)(H4,36,37,39)/t18-,19-,20-,21-,22-,23-/m0/s1
InChIKey
WIGDGIGALMYEBW-LLINQDLYSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Fraction Csp3
0.72
Rotatable bonds
26
H-bond acceptors
11
H-bond donors
13
Molar refractivity
199.77
TPSA
386.95
LogP / Solubility
WLOGP
-4.85
MLOGP
-4.2
XLogP3
-5.7
Consensus LogP
-4.92
Log S (ESOL)
0.15
Class (ESOL)
Highly soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.77
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)
-10.87
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
7
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- Product Code: starshine_CAS65195-56-4
- Purity/Analytical method: >99.0%
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