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CAS 736171-62-3 Hsp70-derived octapeptide molecular structure lightbox
CAS RN: 736171-62-3

Hsp70-derived octapeptide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250423 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS736171-62-3
  • Purity/Analytical Methods: >99.0%
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736171-62-3 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid

Standard CAS: 736171-62-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
736171-62-3
Multi CAS
No
Molecular Formula
C36H58N8O16
Molecular Weight
858.900000
Exact Mass
858.397078
InChI
InChI=1S/C36H58N8O16/c1-6-17(4)28(42-35(58)29(18(5)45)43-32(55)22-8-7-13-44(22)23(46)15-37)34(57)39-19(9-11-24(47)48)30(53)38-20(10-12-25(49)50)31(54)41-27(16(2)3)33(56)40-21(36(59)60)14-26(51)52/h16-22,27-29,45H,6-15,37H2,1-5H3,(H,38,53)(H,39,57)(H,40,56)(H,41,54)(H,42,58)(H,43,55)(H,47,48)(H,49,50)(H,51,52)(H,59,60)/t17-,18+,19-,20-,21-,22-,27-,28-,29-/m0/s1
InChIKey
ZFLYGBZWZFFSEA-KXIJWNIYSA-N

Computed Properties

Structural Parameters

Heavy atom count
60
Fraction Csp3
0.69
Rotatable bonds
26
H-bond acceptors
13
H-bond donors
12
Molar refractivity
204.98
TPSA
390.36

LogP / Solubility

WLOGP
-3.78
MLOGP
-3.25
XLogP3
-5.1
Consensus LogP
-4.04
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.22
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)
-10.65

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

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