CAS RN: 55576-66-4
agrimol B
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250121 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251221 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250428 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250212 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250701 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250623 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250722 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS55576-66-4
- Purity/Analytical Methods: >99.0%
55576-66-4 / (2S)-1-[3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one
Basic Information
CAS
55576-66-4
Multi CAS
Yes
Molecular Formula
C37H46O12
Molecular Weight
682.800000
Exact Mass
682.298927
InChI
InChI=1S/C37H46O12/c1-9-12-23(38)25-32(44)19(29(41)17(5)36(25)48-7)14-21-31(43)22(35(47)27(34(21)46)28(40)16(4)11-3)15-20-30(42)18(6)37(49-8)26(33(20)45)24(39)13-10-2/h16,41-47H,9-15H2,1-8H3/t16-/m0/s1
InChIKey
BVLHMPZMQVWDGX-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
18
Fraction Csp3
0.43
Rotatable bonds
15
H-bond acceptors
12
H-bond donors
7
Molar refractivity
181.43
TPSA
211.28
LogP / Solubility
WLOGP
6.64
MLOGP
5.9
XLogP3
7.7
Consensus LogP
6.75
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-9.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5
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