CAS RN: 3476-50-4
trimethylcolchicinic acid methyl ether
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.20250507 | 25mg / 50mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3476-50-4
- Purity/Analytical Methods: >99.0%
3476-50-4 / (7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Basic Information
CAS
3476-50-4
Multi CAS
Yes
Molecular Formula
C20H23NO5
Molecular Weight
357.400000
Exact Mass
357.157623
InChI
InChI=1S/C20H23NO5/c1-23-16-8-6-12-13(10-15(16)22)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12/h6,8-10,14H,5,7,21H2,1-4H3/t14-/m0/s1
InChIKey
HFPMXDMZJUJZBX-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
13
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
99.61
TPSA
80.01
LogP / Solubility
WLOGP
2.69
MLOGP
2.39
XLogP3
0.9
Consensus LogP
1.99
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
