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CAS 37548-29-1 ACTH (22-39) molecular structure lightbox
CAS RN: 37548-29-1

ACTH (22-39)

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260408 1mg / 5mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS37548-29-1
  • Purity/Analytical Methods: >99.0%
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37548-29-1 / (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]acetyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Standard CAS: 37548-29-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37548-29-1
Multi CAS
Yes
Molecular Formula
C90H125N19O32
Molecular Weight
1985.100000
Exact Mass
1983.873803
InChI
InChI=1S/C90H125N19O32/c1-44(2)36-57(82(132)99-55(28-32-70(118)119)80(130)106-62(90(140)141)39-50-18-12-9-13-19-50)102-85(135)64-20-14-34-108(64)88(138)60(37-49-16-10-8-11-17-49)104-76(126)48(7)95-78(128)53(26-30-68(114)115)97-75(125)47(6)96-84(134)63(43-110)107-81(131)56(29-33-71(120)121)100-83(133)59(41-72(122)123)101-79(129)54(27-31-69(116)117)98-74(124)46(5)94-67(113)42-93-77(127)58(40-66(91)112)103-86(136)65-21-15-35-109(65)89(139)61(105-87(137)73(92)45(3)4)38-51-22-24-52(111)25-23-51/h8-13,16-19,22-25,44-48,53-65,73,110-111H,14-15,20-21,26-43,92H2,1-7H3,(H2,91,112)(H,93,127)(H,94,113)(H,95,128)(H,96,134)(H,97,125)(H,98,124)(H,99,132)(H,100,133)(H,101,129)(H,102,135)(H,103,136)(H,104,126)(H,105,137)(H,106,130)(H,107,131)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,140,141)/t46-,47-,48-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,73-/m0/s1
InChIKey
VNYTZTMGIJDKGF-SYGRCPSDSA-N

Computed Properties

Structural Parameters

Heavy atom count
141
Aromatic heavy atom count
18
Fraction Csp3
0.53
Rotatable bonds
59
H-bond acceptors
27
H-bond donors
25
Molar refractivity
489.17
TPSA
810.49

LogP / Solubility

WLOGP
-6.72
MLOGP
-5.7
XLogP3
-5.9
Consensus LogP
-6.11
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-10.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.07
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)
-19.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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