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CAS 2310109-38-5 LYN-1604 dihydrochloride molecular structure lightbox
CAS RN: 2310109-38-5

LYN-1604 dihydrochloride

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250913 100mg In stock Shanghai Inquiry
Batchno.20260104 10mg In stock Shanghai Inquiry
Batchno.20251029 25mg In stock Shanghai Inquiry
Batchno.20250712 50mg In stock Shanghai Inquiry
Batchno.20250126 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251009 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2310109-38-5
  • Purity/Analytical Methods: >99.0%
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2310109-38-5 / 2-[bis(2-methylpropyl)amino]-1-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]ethanone

Standard CAS: 2310109-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2310109-38-5
Multi CAS
No
Molecular Formula
C33H43Cl2N3O2
Molecular Weight
584.600000
Exact Mass
583.273233
SMILES
CC(C)CN(CC(C)C)CC(=O)N1CCN(CC1)CC(C2=C(C=C(C=C2)Cl)Cl)OCC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C33H43Cl2N3O2/c1-24(2)19-37(20-25(3)4)22-33(39)38-15-13-36(14-16-38)21-32(30-12-11-29(34)18-31(30)35)40-23-26-9-10-27-7-5-6-8-28(27)17-26/h5-12,17-18,24-25,32H,13-16,19-23H2,1-4H3
InChIKey
DVNVYWLKGWAELS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
16
Fraction Csp3
0.48
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
167.08
TPSA
36.02

LogP / Solubility

WLOGP
7.16
MLOGP
6.35
XLogP3
7.6
Consensus LogP
7.04
Log S (ESOL)
-7.48
Class (ESOL)
Insoluble
Log S (Ali)
-9.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.2

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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