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CAS 97145-43-2 KKI 5 molecular structure lightbox
CAS RN: 97145-43-2

KKI 5

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251006 250mg In stock Shanghai Inquiry
Batchno.20250717 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260414 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS97145-43-2
  • Purity/Analytical Methods: >99.0%
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97145-43-2 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide

Standard CAS: 97145-43-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97145-43-2
Multi CAS
Yes
Molecular Formula
C35H55N11O9
Molecular Weight
773.900000
Exact Mass
773.418422
InChI
InChI=1S/C35H55N11O9/c1-19(2)28(34(55)41-22(29(37)50)13-14-27(36)49)45-32(53)25(18-47)44-30(51)23(11-7-15-40-35(38)39)42-31(52)24(17-21-9-5-4-6-10-21)43-33(54)26-12-8-16-46(26)20(3)48/h4-6,9-10,19,22-26,28,47H,7-8,11-18H2,1-3H3,(H2,36,49)(H2,37,50)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H4,38,39,40)/t22-,23-,24-,25-,26-,28-/m0/s1
InChIKey
OOZYLOMMGMLDHT-BIVGDOEESA-N

Computed Properties

Structural Parameters

Heavy atom count
55
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
22
H-bond acceptors
10
H-bond donors
10
Molar refractivity
199.67
TPSA
336.62

LogP / Solubility

WLOGP
-3.88
MLOGP
-3.35
XLogP3
-2.9
Consensus LogP
-3.38
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
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)
-10.2

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

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