CAS RN: 58286-56-9
Nanaomycin A methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS58286-56-9
- Purity/Analytical Methods: >99.0%
58286-56-9 / methyl 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate
Basic Information
CAS
58286-56-9
Multi CAS
Yes
Molecular Formula
C17H16O6
Molecular Weight
316.300000
Exact Mass
316.094688
InChI
InChI=1S/C17H16O6/c1-8-14-11(6-9(23-8)7-13(19)22-2)16(20)10-4-3-5-12(18)15(10)17(14)21/h3-5,8-9,18H,6-7H2,1-2H3/t8-,9+/m0/s1
InChIKey
FMEUWIKCSICJBO-DTWKUNHWSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.35
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
79.38
TPSA
89.9
LogP / Solubility
WLOGP
1.81
MLOGP
1.61
XLogP3
1.6
Consensus LogP
1.67
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
4-(Morpholine-4-Carbonyl)-Benzaldehyde
- CAS RN: 58287-80-2
- Product Code: starshine_CAS58287-80-2
- Purity/Analytical method: >99.0%
-
HYDROXOCOBALAMIN HYDROCHLORIDE
- CAS RN: 58288-50-9
- Product Code: starshine_CAS58288-50-9
- Purity/Analytical method: >99.0%
-
2-(4-BROMOPHENYL)-2-HYDROXYACETONITRILE(WX191375)
- CAS RN: 58289-69-3
- Product Code: SSC-166515
-
-
