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CAS 63409-10-9 Tylosin molecular structure lightbox
CAS RN: 63409-10-9

Tylosin

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260530 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS63409-10-9
  • Purity/Analytical Methods: >99.0%
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63409-10-9 / [(11E,13E)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate

Standard CAS: 63409-10-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63409-10-9
Multi CAS
Yes
Molecular Formula
C48H79NO18
Molecular Weight
958.100000
Exact Mass
957.529715
InChI
InChI=1S/C48H79NO18/c1-14-34-32(23-60-47-44(59-13)43(58-12)39(54)27(5)62-47)19-24(2)15-16-33(52)25(3)20-31(17-18-50)41(26(4)35(64-30(8)51)21-36(53)65-34)67-46-40(55)38(49(10)11)42(28(6)63-46)66-37-22-48(9,57)45(56)29(7)61-37/h15-16,18-19,25-29,31-32,34-35,37-47,54-57H,14,17,20-23H2,1-13H3/b16-15+,24-19+/t25-,26+,27-,28-,29+,31+,32?,34-,35-,37+,38-,39-,40-,41-,42-,43-,44-,45+,46+,47-,48-/m1/s1
InChIKey
SXJMWODQOMKONK-AXZSYZCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Fraction Csp3
0.83
Rotatable bonds
14
H-bond acceptors
19
H-bond donors
4
Molar refractivity
239.89
TPSA
244.74

LogP / Solubility

WLOGP
2.4
MLOGP
2.21
XLogP3
1.6
Consensus LogP
2.07
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-9.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.56
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.86

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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