CAS RN: 37134-40-0
BicozaMycin benzoate, FR 2054
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260604 | 5mg / 10mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS37134-40-0
- Purity/Analytical Methods: >99.0%
37134-40-0 / [(2S,3S)-2,3-dihydroxy-3-[(6S)-6-hydroxy-5-methylidene-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]decan-1-yl]-2-methylpropyl] benzoate
Basic Information
CAS
37134-40-0
Multi CAS
Yes
Molecular Formula
C19H22N2O8
Molecular Weight
406.400000
Exact Mass
406.137616
InChI
InChI=1S/C19H22N2O8/c1-11-8-9-29-19(16(25)20-18(11,27)15(24)21-19)14(23)17(2,26)10-28-13(22)12-6-4-3-5-7-12/h3-7,14,23,26-27H,1,8-10H2,2H3,(H,20,25)(H,21,24)/t14-,17-,18+,19-/m0/s1
InChIKey
YYGLCPHONATYBU-FZDIXFNVSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
5
Molar refractivity
97.03
TPSA
154.42
LogP / Solubility
WLOGP
-1.44
MLOGP
-1.24
XLogP3
-0.7
Consensus LogP
-1.13
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.22
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
7
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