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CAS 7266-47-9 ACTH (1-17) molecular structure lightbox
CAS RN: 7266-47-9

ACTH (1-17)

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251112 1mg / 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS7266-47-9
  • Purity/Analytical Methods: >99.0%
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7266-47-9 / (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]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-4-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

Standard CAS: 7266-47-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7266-47-9
Multi CAS
Yes
Molecular Formula
C95H145N29O23S
Molecular Weight
2093.400000
Exact Mass
2093.082238
InChI
InChI=1S/C95H145N29O23S/c1-53(2)78(91(144)109-49-75(128)111-62(22-9-12-35-96)81(134)113-63(23-10-13-36-97)82(135)117-68(93(146)147)26-16-39-106-95(102)103)123-90(143)74-27-17-40-124(74)92(145)67(24-11-14-37-98)112-76(129)48-108-80(133)71(44-56-46-107-61-21-8-7-20-59(56)61)120-83(136)64(25-15-38-105-94(100)101)114-86(139)70(42-54-18-5-4-6-19-54)119-88(141)72(45-57-47-104-52-110-57)121-84(137)65(32-33-77(130)131)115-85(138)66(34-41-148-3)116-89(142)73(51-126)122-87(140)69(118-79(132)60(99)50-125)43-55-28-30-58(127)31-29-55/h4-8,18-21,28-31,46-47,52-53,60,62-74,78,107,125-127H,9-17,22-27,32-45,48-51,96-99H2,1-3H3,(H,104,110)(H,108,133)(H,109,144)(H,111,128)(H,112,129)(H,113,134)(H,114,139)(H,115,138)(H,116,142)(H,117,135)(H,118,132)(H,119,141)(H,120,136)(H,121,137)(H,122,140)(H,123,143)(H,130,131)(H,146,147)(H4,100,101,105)(H4,102,103,106)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/m0/s1
InChIKey
MXNMAFWEFLFAJN-QBQLSIIBSA-N

Computed Properties

Structural Parameters

Heavy atom count
148
Aromatic heavy atom count
26
Fraction Csp3
0.55
Rotatable bonds
69
H-bond acceptors
29
H-bond donors
32
Molar refractivity
543.61
TPSA
864.45

LogP / Solubility

WLOGP
-7.02
MLOGP
-5.95
XLogP3
-8.9
Consensus LogP
-7.29
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-11.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.72
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)
-20.48

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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