CAS RN: 1191255-15-8
GanoMycin I
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.20250513 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1191255-15-8
- Purity/Analytical Methods: >99.0%
1191255-15-8 / (2S)-2-(2,5-dihydroxyphenyl)-4-(4,8-dimethylnona-3,7-dienyl)-2H-furan-5-one
SCHEMBL28194570 | FS-7834 | DA-53507
Basic Information
CAS
1191255-15-8
Multi CAS
Yes
Molecular Formula
C21H26O4
Molecular Weight
342.400000
Exact Mass
342.183109
SMILES
CC(=CCCC(=CCCC1=C[C@H](OC1=O)C2=C(C=CC(=C2)O)O)C)C
InChI
InChI=1S/C21H26O4/c1-14(2)6-4-7-15(3)8-5-9-16-12-20(25-21(16)24)18-13-17(22)10-11-19(18)23/h6,8,10-13,20,22-23H,4-5,7,9H2,1-3H3/t20-/m0/s1
InChIKey
PXLVYLVZICPHKW-FQEVSTJZSA-N
Synonyms
SCHEMBL28194570
FS-7834
DA-53507
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
98.34
TPSA
66.76
LogP / Solubility
WLOGP
5.1
MLOGP
4.5
XLogP3
5.3
Consensus LogP
4.97
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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