CAS RN: 320725-47-1
SqualaMine lactate
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.20250614 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS320725-47-1
- Purity/Analytical Methods: >99.0%
320725-47-1 / [(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate;(2S)-2-hydroxypropanoic acid
Basic Information
CAS
320725-47-1
Multi CAS
Yes
Molecular Formula
C37H71N3O8S
Molecular Weight
718.000000
Exact Mass
717.496187
InChI
InChI=1S/C34H65N3O5S.C3H6O3/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35;1-2(4)3(5)6/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41);2,4H,1H3,(H,5,6)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-;2-/m10/s1
InChIKey
JMNXSNUXDHHTKQ-QVMSTPCGSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Fraction Csp3
0.97
Rotatable bonds
17
H-bond acceptors
9
H-bond donors
7
Molar refractivity
193.15
TPSA
191.44
LogP / Solubility
WLOGP
5.01
MLOGP
4.47
XLogP3
5.01
Consensus LogP
4.83
Log S (ESOL)
-6.32
Class (ESOL)
Insoluble
Log S (Ali)
-9.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.52
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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