CAS RN: 280755-12-6
Tulathromycin B
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250113 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS280755-12-6
- Purity/Analytical Methods: >99.0%
280755-12-6 / 2-(2,3-dihydroxypentan-2-yl)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-hydroxy-11-[5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminomethyl)oxan-2-yl]oxy-3,6,8,10,12-pentamethyl-1-oxa-4-azacyclotridecan-13-one
Basic Information
CAS
280755-12-6
Multi CAS
Yes
Molecular Formula
C41H79N3O12
Molecular Weight
806.100000
Exact Mass
805.566375
InChI
InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)54-33-25(5)34(56-37-32(46)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)35(55-36(47)26(33)6)40(11,49)30(45)16-2/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3
InChIKey
JEBMHQVCOAWRCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Fraction Csp3
0.98
Rotatable bonds
13
H-bond acceptors
15
H-bond donors
7
Molar refractivity
211.66
TPSA
200.9
LogP / Solubility
WLOGP
1.93
MLOGP
1.77
XLogP3
2.1
Consensus LogP
1.93
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.06
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)
-6.27
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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