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CAS 34429-70-4 TIRANDAMYCIN molecular structure lightbox
CAS RN: 34429-70-4

TIRANDAMYCIN

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS34429-70-4
  • Purity/Analytical Methods: >99.0%
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34429-70-4 / 3-[1-hydroxy-4-methyl-6-(1,2,7-trimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl)hepta-2,4-dienylidene]pyrrolidine-2,4-dione

Standard CAS: 34429-70-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34429-70-4
Multi CAS
Yes
Molecular Formula
C22H27NO7
Molecular Weight
417.500000
Exact Mass
417.178752
InChI
InChI=1S/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,24H,9H2,1-5H3,(H,23,27)
InChIKey
URGUBECARCAPRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
105.33
TPSA
114.46

LogP / Solubility

WLOGP
1.51
MLOGP
1.36
XLogP3
2.6
Consensus LogP
1.82
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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