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CAS 141685-53-2 H-SER-PHE-LEU-LEU-ARG-OH molecular structure lightbox
CAS RN: 141685-53-2

H-SER-PHE-LEU-LEU-ARG-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250208 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS141685-53-2
  • Purity/Analytical Methods: >99.0%
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141685-53-2 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Standard CAS: 141685-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141685-53-2
Multi CAS
No
Molecular Formula
C30H50N8O7
Molecular Weight
634.800000
Exact Mass
634.380246
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)N
InChI
InChI=1S/C30H50N8O7/c1-17(2)13-22(26(41)35-21(29(44)45)11-8-12-34-30(32)33)37-27(42)23(14-18(3)4)38-28(43)24(36-25(40)20(31)16-39)15-19-9-6-5-7-10-19/h5-7,9-10,17-18,20-24,39H,8,11-16,31H2,1-4H3,(H,35,41)(H,36,40)(H,37,42)(H,38,43)(H,44,45)(H4,32,33,34)/t20-,21-,22-,23-,24-/m0/s1
InChIKey
LJYDIYITSYDTAY-LSBAASHUSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
20
H-bond acceptors
8
H-bond donors
9
Molar refractivity
169.39
TPSA
264.35

LogP / Solubility

WLOGP
-1.28
MLOGP
-1.08
XLogP3
-3.6
Consensus LogP
-1.99
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.12
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)
-7.5

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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