CAS RN: 928006-50-2
Acetyl tetrapeptide-9(Dermican LS 9837)
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260322 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINA900445
928006-50-2 / (3S)-3-[[(2S)-2-acetamido-5-amino-5-oxopentanoyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Basic Information
CAS
928006-50-2
Multi CAS
Yes
Molecular Formula
C22H33N7O9
Molecular Weight
539.500000
Exact Mass
539.233976
InChI
InChI=1S/C22H33N7O9/c1-10(2)18(21(36)28-15(22(37)38)6-12-8-24-9-25-12)29-20(35)14(7-17(32)33)27-19(34)13(26-11(3)30)4-5-16(23)31/h8-10,13-15,18H,4-7H2,1-3H3,(H2,23,31)(H,24,25)(H,26,30)(H,27,34)(H,28,36)(H,29,35)(H,32,33)(H,37,38)/t13-,14-,15-,18-/m0/s1
InChIKey
QNZANUZIBYJBIN-XSWJXKHESA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
16
H-bond acceptors
8
H-bond donors
8
Molar refractivity
128.84
TPSA
262.77
LogP / Solubility
WLOGP
-2.61
MLOGP
-2.25
XLogP3
-2.5
Consensus LogP
-2.45
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-7.86
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
