CAS RN: 74610-55-2
Tylosin tartrate
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS74610-55-2
- Purity/Analytical Methods: >99.0%
74610-55-2 / 2,3-dihydroxybutanedioic acid;(4S,5R,6R,7S,9R,11E,13Z,15R,16S)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2S,3S,4S,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-diene-7-carbaldehyde
Basic Information
CAS
74610-55-2
Multi CAS
Yes
Molecular Formula
C49H81NO23
Molecular Weight
1052.200000
Exact Mass
1051.519938
InChI
InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1
InChIKey
ICVKYYINQHWDLM-KBEWXLTPSA-N
Computed Properties
Structural Parameters
Heavy atom count
73
Fraction Csp3
0.82
Rotatable bonds
15
H-bond acceptors
22
H-bond donors
9
Molar refractivity
253.01
TPSA
353.73
LogP / Solubility
WLOGP
-0.68
MLOGP
-0.5
XLogP3
-0.68
Consensus LogP
-0.62
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
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)
-9.62
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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