![CAS 58822-25-6 [LEU5]-ENKEPHALIN molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58822-25-6.gif)
CAS RN: 58822-25-6
[LEU5]-ENKEPHALIN
Product Availability
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2 package records2 with current stock2 grade groups
- Product code: starshine_CAS58822-25-6
- Purity/Analytical Methods: >99.0%
58822-25-6 / 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Basic Information
CAS
58822-25-6
Multi CAS
Yes
Molecular Formula
C28H37N5O7
Molecular Weight
555.600000
Exact Mass
555.269299
InChI
InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
InChIKey
URLZCHNOLZSCCA-VABKMULXSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
7
Molar refractivity
146.9
TPSA
199.95
LogP / Solubility
WLOGP
-0.16
MLOGP
-0.1
XLogP3
-2.3
Consensus LogP
-0.85
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.94
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.22
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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