CAS RN: 7327-72-2
ORN-ASP
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7327-72-2
- Purity/Analytical Methods: >99.0%
7327-72-2 / (2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]butanedioic acid
Basic Information
CAS
7327-72-2
Multi CAS
Yes
Molecular Formula
C9H17N3O5
Molecular Weight
247.250000
Exact Mass
247.116821
InChI
InChI=1S/C9H17N3O5/c10-3-1-2-5(11)8(15)12-6(9(16)17)4-7(13)14/h5-6H,1-4,10-11H2,(H,12,15)(H,13,14)(H,16,17)/t5-,6-/m0/s1
InChIKey
KCOLRAYANGZVFU-WDSKDSINSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
5
Molar refractivity
58.08
TPSA
155.74
LogP / Solubility
WLOGP
-1.9
MLOGP
-1.67
XLogP3
-7
Consensus LogP
-3.52
Log S (ESOL)
0.35
Class (ESOL)
Highly soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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