CAS RN: 2416138-42-4
V-9302 HCl
Product Availability
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8 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250607 | 100mg | Out of stock | Inquiry | |
| Batchno.20251205 | 10mg | Out of stock | Inquiry | |
| Batchno.20260529 | 1g | Out of stock | Inquiry | |
| Batchno.20260131 | 1mg | Out of stock | Inquiry | |
| Batchno.20260120 | 250mg | Out of stock | Inquiry | |
| Batchno.20260508 | 25mg | Out of stock | Inquiry | |
| Batchno.20250810 | 50mg | Out of stock | Inquiry |
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251124 | 10mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2416138-42-4
- Purity/Analytical Methods: >99.0%
2416138-42-4 / 2-amino-4-[bis[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid;hydrochloride
Basic Information
CAS
2416138-42-4
Multi CAS
No
Molecular Formula
C34H39ClN2O4
Molecular Weight
575.100000
Exact Mass
574.259835
SMILES
CC1=CC(=CC=C1)COC2=CC=CC=C2CN(CCC(C(=O)O)N)CC3=CC=CC=C3OCC4=CC=CC(=C4)C.Cl
InChI
InChI=1S/C34H38N2O4.ClH/c1-25-9-7-11-27(19-25)23-39-32-15-5-3-13-29(32)21-36(18-17-31(35)34(37)38)22-30-14-4-6-16-33(30)40-24-28-12-8-10-26(2)20-28;/h3-16,19-20,31H,17-18,21-24,35H2,1-2H3,(H,37,38);1H/t31-;/m0./s1
InChIKey
LUQMUDMPRZSZTJ-YNMZEGNTSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
2
Molar refractivity
165.5
TPSA
85.02
LogP / Solubility
WLOGP
6.69
MLOGP
5.93
XLogP3
6.69
Consensus LogP
6.44
Log S (ESOL)
-7.13
Class (ESOL)
Insoluble
Log S (Ali)
-9.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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