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CAS 73554-85-5 BOC-GLU-LYS-LYS-MCA molecular structure lightbox
CAS RN: 73554-85-5

BOC-GLU-LYS-LYS-MCA

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260425 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS73554-85-5
  • Purity/Analytical Methods: >99.0%
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73554-85-5 / 5-[[6-amino-1-[[6-amino-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Standard CAS: 73554-85-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73554-85-5
Multi CAS
Yes
Molecular Formula
C32H48N6O9
Molecular Weight
660.800000
Exact Mass
660.348277
InChI
InChI=1S/C32H48N6O9/c1-19-17-27(41)46-25-18-20(11-12-21(19)25)35-28(42)22(9-5-7-15-33)36-29(43)23(10-6-8-16-34)37-30(44)24(13-14-26(39)40)38-31(45)47-32(2,3)4/h11-12,17-18,22-24H,5-10,13-16,33-34H2,1-4H3,(H,35,42)(H,36,43)(H,37,44)(H,38,45)(H,39,40)/t22-,23-,24-/m0/s1
InChIKey
BRCAWRCEROGSRR-HJOGWXRNSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
10
Fraction Csp3
0.56
Rotatable bonds
18
H-bond acceptors
10
H-bond donors
7
Molar refractivity
175.55
TPSA
245.18

LogP / Solubility

WLOGP
2.03
MLOGP
1.84
XLogP3
-1.6
Consensus LogP
0.76
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.31

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
5.5

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