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CAS 55297-96-6 Tiamulin fumarate molecular structure lightbox
CAS RN: 55297-96-6

Tiamulin fumarate

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9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250524 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
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Batchno.20260320 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250522 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20251023 1kg Out of stock Inquiry
Batchno.20250314 250mg In stock Shanghai Inquiry
Batchno.20250809 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250313 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260620 50mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250725 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS55297-96-6
  • Purity/Analytical Methods: >99.0%
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55297-96-6 / (E)-but-2-enedioic acid;[(2R,3S,4S,6R,8S,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate

Standard CAS: 55297-96-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55297-96-6
Multi CAS
Yes
Molecular Formula
C32H51NO8S
Molecular Weight
609.800000
Exact Mass
609.333539
InChI
InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,20+,22-,24+,25+,26-,27+,28+;/m1./s1
InChIKey
YXQXDXAHCSEVSD-GCYNEOGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.75
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
3
Molar refractivity
164.17
TPSA
141.44

LogP / Solubility

WLOGP
4.68
MLOGP
4.17
XLogP3
4.68
Consensus LogP
4.51
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.83
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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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