CAS RN: 73319-30-9
3,17-bis-deacetylvecuronium
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.20250516 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS73319-30-9
- Purity/Analytical Methods: >99.0%
73319-30-9 / (2S,3S,5S,10S,13S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol bromide
Basic Information
CAS
73319-30-9
Multi CAS
Yes
Molecular Formula
BC30H53O2Rn2
Molecular Weight
553.700000
Exact Mass
552.329040
InChI
InChI=1S/C30H53N2O2.BrH/c1-29-13-12-23-22(24(29)19-26(28(29)34)32(3)16-8-5-9-17-32)11-10-21-18-27(33)25(20-30(21,23)2)31-14-6-4-7-15-31;/h21-28,33-34H,4-20H2,1-3H3;1H/q+1;/p-1/t21-,22?,23?,24?,25-,26-,27-,28-,29-,30-;/m0./s1
InChIKey
DIGWZHJLXJPNBY-RXKWVREZSA-M
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
137.28
TPSA
43.7
LogP / Solubility
WLOGP
1.83
MLOGP
1.65
XLogP3
1.83
Consensus LogP
1.77
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
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