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CAS 30387-39-4 COLISTIMETHATESODIUM molecular structure lightbox
CAS RN: 30387-39-4

COLISTIMETHATESODIUM

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250916 100mg In stock Shanghai Inquiry
Batchno.20250721 25mg In stock Shanghai, Chongqing Inquiry
Batchno.20250723 5mg In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS30387-39-4
  • Purity/Analytical Methods: >99.0%
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30387-39-4 / [2-[11-(2-aminoethyl)-17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methyloctanoylamino)-4-(sulfomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18,23-heptaoxo-14-[2-(sulfomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonic acid

Standard CAS: 30387-39-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30387-39-4
Multi CAS
Yes
Molecular Formula
C57H108N16O25S4
Molecular Weight
1545.800000
Exact Mass
1544.655438
InChI
InChI=1S/C57H108N16O25S4/c1-9-34(6)12-10-11-13-45(76)64-38(15-21-59-28-99(87,88)89)52(81)73-47(36(8)75)57(86)69-40(17-23-61-30-101(93,94)95)49(78)68-42-19-25-63-56(85)46(35(7)74)72-53(82)41(18-24-62-31-102(96,97)98)67-48(77)37(14-20-58)65-54(83)43(26-32(2)3)71-55(84)44(27-33(4)5)70-51(80)39(66-50(42)79)16-22-60-29-100(90,91)92/h32-44,46-47,59-62,74-75H,9-31,58H2,1-8H3,(H,63,85)(H,64,76)(H,65,83)(H,66,79)(H,67,77)(H,68,78)(H,69,86)(H,70,80)(H,71,84)(H,72,82)(H,73,81)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)
InChIKey
ZXYYNNMHQSUIER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
102
Fraction Csp3
0.81
Rotatable bonds
41
H-bond acceptors
26
H-bond donors
22
Molar refractivity
366.94
TPSA
652.18

LogP / Solubility

WLOGP
-7.54
MLOGP
-6.47
XLogP3
-13.9
Consensus LogP
-9.3
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
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)
-17.5

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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