CAS RN: 1036207-61-0
Tetrapeptide-30
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.20260517 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1036207-61-0
- Purity/Analytical Methods: >99.0%
1036207-61-0 / (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
Tetrapeptide-30 | 6-amino-2-[[2-[[6-amino-2-(pyrrolidine-2-carbonylamino)hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid | SCHEMBL29364969
Basic Information
CAS
1036207-61-0
Multi CAS
Yes
Molecular Formula
C22H40N6O7
Molecular Weight
500.600000
Exact Mass
500.295848
SMILES
C1C[C@H](NC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C22H40N6O7/c23-11-3-1-6-15(26-19(31)14-8-5-13-25-14)20(32)27-16(9-10-18(29)30)21(33)28-17(22(34)35)7-2-4-12-24/h14-17,25H,1-13,23-24H2,(H,26,31)(H,27,32)(H,28,33)(H,29,30)(H,34,35)/t14-,15-,16-,17-/m0/s1
InChIKey
LYHZXMVNRVAAJA-QAETUUGQSA-N
Synonyms
Tetrapeptide-30
6-amino-2-[[2-[[6-amino-2-(pyrrolidine-2-carbonylamino)hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
SCHEMBL29364969
LYHZXMVNRVAAJA-UHFFFAOYSA-N
DA-58449
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.77
Rotatable bonds
18
H-bond acceptors
8
H-bond donors
8
Molar refractivity
127.13
TPSA
225.97
LogP / Solubility
WLOGP
-1.6
MLOGP
-1.37
XLogP3
-8.3
Consensus LogP
-3.76
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.75
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)
-6.91
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
4.5
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