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CAS 352017-71-1 H-ALA-TYR-PRO-GLY-LYS-PHE-NH2 molecular structure lightbox
CAS RN: 352017-71-1

H-ALA-TYR-PRO-GLY-LYS-PHE-NH2

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS352017-71-1
  • Purity/Analytical Methods: >99.0%
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352017-71-1 / (2S)-N-[2-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide

Standard CAS: 352017-71-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352017-71-1
Multi CAS
Yes
Molecular Formula
C34H48N8O7
Molecular Weight
680.800000
Exact Mass
680.364596
InChI
InChI=1S/C34H48N8O7/c1-21(36)31(46)41-27(19-23-12-14-24(43)15-13-23)34(49)42-17-7-11-28(42)33(48)38-20-29(44)39-25(10-5-6-16-35)32(47)40-26(30(37)45)18-22-8-3-2-4-9-22/h2-4,8-9,12-15,21,25-28,43H,5-7,10-11,16-20,35-36H2,1H3,(H2,37,45)(H,38,48)(H,39,44)(H,40,47)(H,41,46)/t21-,25-,26-,27-,28-/m0/s1
InChIKey
BBAOHIALRKLBRD-OZDPOCAXSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
12
Fraction Csp3
0.47
Rotatable bonds
18
H-bond acceptors
9
H-bond donors
8
Molar refractivity
181.24
TPSA
252.07

LogP / Solubility

WLOGP
-1.3
MLOGP
-1.09
XLogP3
-0.1
Consensus LogP
-0.83
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.2
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.8

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
6.5

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