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CAS 8011-61-8 Tyrocidine molecular structure lightbox
CAS RN: 8011-61-8

Tyrocidine

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Batchno.20250120 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS8011-61-8
  • Purity/Analytical Methods: >99.0%
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8011-61-8 / 3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3,24,27-tribenzyl-15-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide

Standard CAS: 8011-61-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
8011-61-8
Multi CAS
Yes
Molecular Formula
C66H87N13O13
Molecular Weight
1270.500000
Exact Mass
1269.654630
InChI
InChI=1S/C66H87N13O13/c1-38(2)32-47-59(85)77-52(36-42-20-12-7-13-21-42)66(92)79-31-15-23-53(79)64(90)76-49(34-41-18-10-6-11-19-41)61(87)74-48(33-40-16-8-5-9-17-40)60(86)75-51(37-55(69)82)62(88)70-46(28-29-54(68)81)58(84)73-50(35-43-24-26-44(80)27-25-43)63(89)78-56(39(3)4)65(91)71-45(22-14-30-67)57(83)72-47/h5-13,16-21,24-27,38-39,45-53,56,80H,14-15,22-23,28-37,67H2,1-4H3,(H2,68,81)(H2,69,82)(H,70,88)(H,71,91)(H,72,83)(H,73,84)(H,74,87)(H,75,86)(H,76,90)(H,77,85)(H,78,89)/t45-,46-,47-,48+,49-,50-,51-,52+,53-,56-/m0/s1
InChIKey
GSXRBRIWJGAPDU-BBVRJQLQSA-N

Computed Properties

Structural Parameters

Heavy atom count
92
Aromatic heavy atom count
24
Fraction Csp3
0.45
Rotatable bonds
19
H-bond acceptors
14
H-bond donors
13
Molar refractivity
339.18
TPSA
414.64

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.21
XLogP3
2.8
Consensus LogP
0.73
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-9.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.88
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)
-10.75

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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