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CAS 67224-41-3 ACTH (4-11) molecular structure lightbox
CAS RN: 67224-41-3

ACTH (4-11)

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250118 5mg / 10mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS67224-41-3
  • Purity/Analytical Methods: >99.0%
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67224-41-3 / (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoic acid

Standard CAS: 67224-41-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67224-41-3
Multi CAS
Yes
Molecular Formula
C50H71N15O11S
Molecular Weight
1090.300000
Exact Mass
1089.517819
InChI
InChI=1S/C50H71N15O11S/c1-77-21-18-33(52)43(69)61-36(16-17-42(67)68)46(72)65-40(24-31-26-55-28-59-31)48(74)63-38(22-29-10-3-2-4-11-29)47(73)62-35(15-9-20-56-50(53)54)45(71)64-39(23-30-25-57-34-13-6-5-12-32(30)34)44(70)58-27-41(66)60-37(49(75)76)14-7-8-19-51/h2-6,10-13,25-26,28,31,33,35-40,57H,7-9,14-24,27,51-52H2,1H3,(H,58,70)(H,60,66)(H,61,69)(H,62,73)(H,63,74)(H,64,71)(H,65,72)(H,67,68)(H,75,76)(H4,53,54,56)/t31?,33-,35-,36-,37-,38-,39-,40-/m0/s1
InChIKey
LJBZCIYFOJCRAM-AZNQTTJCSA-N

Computed Properties

Structural Parameters

Heavy atom count
77
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
35
H-bond acceptors
15
H-bond donors
14
Molar refractivity
290.43
TPSA
435.25

LogP / Solubility

WLOGP
-1.94
MLOGP
-1.6
XLogP3
-6.2
Consensus LogP
-3.25
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-7.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.34
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)
-10.75

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
8.5

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