CAS RN: 88899-56-3
BAFILOMYCIN B1
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250514 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS88899-56-3
- Purity/Analytical Methods: >99.0%
88899-56-3 / [(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(3S,9S,10S,11R)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] 4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
Basic Information
CAS
88899-56-3
Multi CAS
Yes
Molecular Formula
C44H65NO13
Molecular Weight
816.000000
Exact Mass
815.445591
InChI
InChI=1S/C44H65NO13/c1-23(2)41-28(7)35(56-37(49)18-17-36(48)45-38-31(46)15-16-32(38)47)22-44(53,58-41)30(9)40(51)29(8)42-33(54-10)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-34(55-11)43(52)57-42/h12-14,17-18,20-21,23,26-30,33,35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12+,18-17+,24-13+,25-20+,34-21-
InChIKey
KFUFLYSBMNNJTF-UNPKUBMASA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Fraction Csp3
0.64
Rotatable bonds
11
H-bond acceptors
13
H-bond donors
5
Molar refractivity
215.21
TPSA
207.38
LogP / Solubility
WLOGP
5.05
MLOGP
4.52
XLogP3
5.9
Consensus LogP
5.16
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-9.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.47
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)
-4.11
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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