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CAS 91224-37-2 D-ARG-PRO-LYS-PRO-GLN-GLN-D-TRP-PHE-D-TRP-LEU-LEU-NH2 HYDROCHLORIDE molecular structure lightbox
CAS RN: 91224-37-2

D-ARG-PRO-LYS-PRO-GLN-GLN-D-TRP-PHE-D-TRP-LEU-LEU-NH2 HYDROCHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250706 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS91224-37-2
  • Purity/Analytical Methods: >99.0%
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91224-37-2 / 2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide

Standard CAS: 91224-37-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91224-37-2
Multi CAS
Yes
Molecular Formula
C75H108N20O13
Molecular Weight
1497.800000
Exact Mass
1496.840474
InChI
InChI=1S/C86H103Cl2N17O14/c1-5-6-29-64(86(118)119)97-76(108)65(38-49(2)3)98-79(111)68(41-55-46-93-61-30-15-13-27-57(55)61)100-77(109)66(39-51-21-9-7-10-22-51)99-80(112)69(42-56-47-94-62-31-16-14-28-58(56)62)101-81(113)70(43-71(90)106)102-78(110)67(40-52-23-11-8-12-24-52)103-83(115)74-72(88)60(87)48-105(74)84(116)50(4)95-82(114)73-59(53-25-19-35-91-44-53)33-37-104(73)85(117)63(32-17-18-34-89)96-75(107)54-26-20-36-92-45-54/h7-16,19-28,30-31,35-36,44-47,49-50,59-60,63-70,72-74,93-94H,5-6,17-18,29,32-34,37-43,48,89H2,1-4H3,(H2,90,106)(H,95,114)(H,96,107)(H,97,108)(H,98,111)(H,99,112)(H,100,109)(H,101,113)(H,102,110)(H,103,115)(H,118,119)/t50-,59?,60?,63-,64-,65-,66-,67-,68-,69-,70-,72?,73-,74-/m0/s1
InChIKey
GFMHGFPPCYBUCK-HBUFSDLISA-N

Computed Properties

Structural Parameters

Heavy atom count
108
Aromatic heavy atom count
24
Fraction Csp3
0.52
Rotatable bonds
43
H-bond acceptors
16
H-bond donors
17
Molar refractivity
404.82
TPSA
550.71

LogP / Solubility

WLOGP
-0.84
MLOGP
-0.59
XLogP3
0.6
Consensus LogP
-0.28
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-11.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.86
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)
-12.46

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
10

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