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CAS 81187-14-6 H-ARG-LYS-ARG-SER-ARG-ALA-GLU-OH molecular structure lightbox
CAS RN: 81187-14-6

H-ARG-LYS-ARG-SER-ARG-ALA-GLU-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS81187-14-6
  • Purity/Analytical Methods: >99.0%
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81187-14-6 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]pentanedioic acid

Standard CAS: 81187-14-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81187-14-6
Multi CAS
Yes
Molecular Formula
C35H67N17O11
Molecular Weight
902.000000
Exact Mass
901.520596
InChI
InChI=1S/C35H67N17O11/c1-18(26(56)51-23(32(62)63)11-12-25(54)55)47-28(58)21(9-5-15-45-34(40)41)50-31(61)24(17-53)52-30(60)22(10-6-16-46-35(42)43)49-29(59)20(8-2-3-13-36)48-27(57)19(37)7-4-14-44-33(38)39/h18-24,53H,2-17,36-37H2,1H3,(H,47,58)(H,48,57)(H,49,59)(H,50,61)(H,51,56)(H,52,60)(H,54,55)(H,62,63)(H4,38,39,44)(H4,40,41,45)(H4,42,43,46)/t18-,19-,20-,21-,22-,23-,24-/m0/s1
InChIKey
BVKSYBQAXBWINI-LQDRYOBXSA-N

Computed Properties

Structural Parameters

Heavy atom count
63
Fraction Csp3
0.69
Rotatable bonds
33
H-bond acceptors
14
H-bond donors
17
Molar refractivity
229.46
TPSA
514.67

LogP / Solubility

WLOGP
-7.53
MLOGP
-6.54
XLogP3
-12.2
Consensus LogP
-8.76
Log S (ESOL)
1.49
Class (ESOL)
Highly soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-13.57

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
7.5

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