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CAS 108050-54-0 Tilmicosin molecular structure lightbox
CAS RN: 108050-54-0

Tilmicosin

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250807 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260417 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260608 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260317 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS108050-54-0
  • Purity/Analytical Methods: >99.0%
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108050-54-0 / (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

Tilmicosin | Micotil | Tilmicosina

Standard CAS: 108050-54-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
108050-54-0
Multi CAS
Yes
Molecular Formula
C46H80N2O13
Molecular Weight
869.100000
Exact Mass
868.566041
SMILES
CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC
InChI
InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1
InChIKey
JTSDBFGMPLKDCD-XVFHVFLVSA-N
Synonyms
Tilmicosin Micotil Tilmicosina Tilmicosine Tilmicosinum

Physical Properties

Storage Conditions
Store below 40 °C (104 °F), preferably between 15 and 30 °C (59 and 86 °F), unless otherwise specified by manufacturer.

Computed Properties

Structural Parameters

Heavy atom count
61
Fraction Csp3
0.87
Rotatable bonds
12
H-bond acceptors
15
H-bond donors
4
Molar refractivity
229.21
TPSA
186.15

LogP / Solubility

WLOGP
3.34
MLOGP
3.02
XLogP3
3.6
Consensus LogP
3.32
Log S (ESOL)
-6.54
Class (ESOL)
Insoluble
Log S (Ali)
-9.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.52
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
Yes
Log Kp (skin permeation)
-5.65

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (93.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (93.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (91.7%): Harmful if inhaled [Warning Acute toxicity, inhalation] H334 (93.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, and P501

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