CAS RN: 750649-07-1
Daphnilongeranin C
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.20250820 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS750649-07-1
- Purity/Analytical Methods: >99.0%
750649-07-1 / (1R,2S,3R,5R,6S,10S,16R,17R)-2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carboxylic acid
Basic Information
CAS
750649-07-1
Multi CAS
Yes
Molecular Formula
C22H29NO3
Molecular Weight
355.500000
Exact Mass
355.214744
InChI
InChI=1S/C22H29NO3/c1-11-9-23-10-13-5-3-12-4-6-14-16(20(25)26)8-22(18(12)14)19(24)15(11)7-17(23)21(13,22)2/h11,13-17H,3-10H2,1-2H3,(H,25,26)/t11-,13-,14-,15-,16-,17-,21-,22+/m1/s1
InChIKey
JOODVMXQKVRURX-ROEHNZSPSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
96.4
TPSA
57.61
LogP / Solubility
WLOGP
3.12
MLOGP
2.77
XLogP3
-0.4
Consensus LogP
1.83
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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