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CAS 73554-93-5 BOC-LEU-SER-THR-ARG-MCA molecular structure lightbox
CAS RN: 73554-93-5

BOC-LEU-SER-THR-ARG-MCA

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250215 5mg / 25mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251102 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS73554-93-5
  • Purity/Analytical Methods: >99.0%
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73554-93-5 / tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Standard CAS: 73554-93-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73554-93-5
Multi CAS
Yes
Molecular Formula
C34H52N8O10
Molecular Weight
732.800000
Exact Mass
732.380640
InChI
InChI=1S/C34H52N8O10/c1-17(2)13-23(40-33(50)52-34(5,6)7)29(47)39-24(16-43)30(48)41-27(19(4)44)31(49)42-28(46)22(9-8-12-37-32(35)36)38-20-10-11-21-18(3)14-26(45)51-25(21)15-20/h10-11,14-15,17,19,22-24,27,38,43-44H,8-9,12-13,16H2,1-7H3,(H,39,47)(H,40,50)(H,41,48)(H4,35,36,37)(H,42,46,49)/t19-,22+,23+,24+,27+/m1/s1
InChIKey
KHROACPEOHQTRJ-ZDLOCFOUSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
10
Fraction Csp3
0.56
Rotatable bonds
17
H-bond acceptors
12
H-bond donors
9
Molar refractivity
192.93
TPSA
289.8

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.06
XLogP3
0.4
Consensus LogP
0.07
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble

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)
-7.29

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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