CAS RN: 928006-88-6
Acetyltetrapeptide 11
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS928006-88-6
- Purity/Analytical Methods: >99.0%
928006-88-6 / (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
Basic Information
CAS
928006-88-6
Multi CAS
Yes
Molecular Formula
C27H38N4O7
Molecular Weight
530.600000
Exact Mass
530.274050
InChI
InChI=1S/C27H38N4O7/c1-16(2)14-21(27(37)38)29-24(34)20(15-18-8-10-19(33)11-9-18)28-25(35)22-6-4-13-31(22)26(36)23-7-5-12-30(23)17(3)32/h8-11,16,20-23,33H,4-7,12-15H2,1-3H3,(H,28,35)(H,29,34)(H,37,38)/t20-,21-,22-,23-/m0/s1
InChIKey
KQEQPUBSXXOUGC-MLCQCVOFSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
137.91
TPSA
156.35
LogP / Solubility
WLOGP
1.04
MLOGP
0.95
XLogP3
1.9
Consensus LogP
1.3
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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- Product Code: starshine_CAS928025-58-5
- Purity/Analytical method: >99.0%
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