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CAS 581-05-5 ALPHA-MSH molecular structure lightbox
CAS RN: 581-05-5

ALPHA-MSH

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250309 100mg Out of stock 8-10 business days Inquiry
Batchno.20260326 25mg In stock Shanghai Inquiry
Batchno.20260307 5mg In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
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Batchno.20260607 100mg In stock Shanghai Inquiry
Batchno.20250524 10mg In stock Shanghai Inquiry
Batchno.20250808 25mg In stock Shanghai Inquiry
Batchno.20260403 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS581-05-5
  • Purity/Analytical Methods: >99.0%
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581-05-5 / (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Standard CAS: 581-05-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
581-05-5
Multi CAS
Yes
Molecular Formula
C77H109N21O19S
Molecular Weight
1664.900000
Exact Mass
1663.792932
InChI
InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
InChIKey
WHNFPRLDDSXQCL-UAZQEYIDSA-N

Computed Properties

Structural Parameters

Heavy atom count
118
Aromatic heavy atom count
26
Fraction Csp3
0.49
Rotatable bonds
50
H-bond acceptors
22
H-bond donors
23
Molar refractivity
431.04
TPSA
642.98

LogP / Solubility

WLOGP
-4.54
MLOGP
-3.82
XLogP3
-4.3
Consensus LogP
-4.22
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.72
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)
-16.1

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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