CAS RN: 40163-56-2
EBURNAMENINE-14-CARBOXYLIC ACID, 14,15-DIHYDRO-14-HYDROXY-, ETHYL ESTER, (3A,14B,16A)-
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.20250109 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS40163-56-2
- Purity/Analytical Methods: >99.0%
40163-56-2 / ethyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
Basic Information
CAS
40163-56-2
Multi CAS
Yes
Molecular Formula
C22H28N2O3
Molecular Weight
368.500000
Exact Mass
368.209993
InChI
InChI=1S/C22H28N2O3/c1-3-21-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(18(16)19(21)23)22(26,14-21)20(25)27-4-2/h5-6,8-9,19,26H,3-4,7,10-14H2,1-2H3/t19-,21+,22+/m1/s1
InChIKey
XRMLLVHAALNSGZ-HJNYFJLDSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
103.36
TPSA
54.7
LogP / Solubility
WLOGP
3.34
MLOGP
2.96
XLogP3
3.2
Consensus LogP
3.17
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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