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CAS 4237-93-8 ADRENOCORTICOTROPIC HORMONE, FRAGMENT 11-24 molecular structure lightbox
CAS RN: 4237-93-8

ADRENOCORTICOTROPIC HORMONE, FRAGMENT 11-24

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250804 1mg In stock Shanghai, Shandong Inquiry
Batchno.20260226 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS4237-93-8
  • Purity/Analytical Methods: >99.0%
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4237-93-8 / (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Standard CAS: 4237-93-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4237-93-8
Multi CAS
Yes
Molecular Formula
C77H134N24O16
Molecular Weight
1652.000000
Exact Mass
1651.040964
InChI
InChI=1S/C77H134N24O16/c1-44(2)60(97-67(108)56-26-17-39-99(56)72(113)49(82)20-7-11-33-78)69(110)89-43-59(103)90-50(21-8-12-34-79)63(104)91-51(22-9-13-35-80)64(105)92-53(24-15-37-87-76(83)84)65(106)94-54(25-16-38-88-77(85)86)73(114)100-40-18-27-57(100)68(109)98-62(46(5)6)70(111)93-52(23-10-14-36-81)66(107)96-61(45(3)4)71(112)95-55(42-47-29-31-48(102)32-30-47)74(115)101-41-19-28-58(101)75(116)117/h29-32,44-46,49-58,60-62,102H,7-28,33-43,78-82H2,1-6H3,(H,89,110)(H,90,103)(H,91,104)(H,92,105)(H,93,111)(H,94,106)(H,95,112)(H,96,107)(H,97,108)(H,98,109)(H,116,117)(H4,83,84,87)(H4,85,86,88)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,60-,61-,62-/m0/s1
InChIKey
WNXWTCYVIHOQAJ-IOSGZJLWSA-N

Computed Properties

Structural Parameters

Heavy atom count
117
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
53
H-bond acceptors
22
H-bond donors
21
Molar refractivity
437.97
TPSA
668.36

LogP / Solubility

WLOGP
-4.61
MLOGP
-3.88
XLogP3
-5
Consensus LogP
-4.5
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-9.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.93
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)
-16.07

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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