CAS RN: 2363165-42-6
Anti-Vacuolar ATP synthase membrane sector-associated protein M8-9 antibody produced in rabbit
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260318 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2363165-42-6
- Purity/Analytical Methods: >99.0%
2363165-42-6 / [(1S,2R)-2-[(4S)-2-methyl-4-[1-[[1-(4-pyridin-4-ylsulfonylphenyl)azetidin-3-yl]methyl]piperidin-4-yl]-1,3-dihydroisoquinolin-4-yl]cyclopentyl] N-methylcarbamate
Basic Information
CAS
2363165-42-6
Multi CAS
No
Molecular Formula
C37H47N5O4S
Molecular Weight
657.900000
Exact Mass
657.334876
SMILES
CNC(=O)O[C@H]1CCC[C@@H]1[C@@]2(CN(CC3=CC=CC=C32)C)C4CCN(CC4)CC5CN(C5)C6=CC=C(C=C6)S(=O)(=O)C7=CC=NC=C7
InChI
InChI=1S/C37H47N5O4S/c1-38-36(43)46-35-9-5-8-34(35)37(26-40(2)25-28-6-3-4-7-33(28)37)29-16-20-41(21-17-29)22-27-23-42(24-27)30-10-12-31(13-11-30)47(44,45)32-14-18-39-19-15-32/h3-4,6-7,10-15,18-19,27,29,34-35H,5,8-9,16-17,20-26H2,1-2H3,(H,38,43)/t34-,35-,37-/m0/s1
InChIKey
RQQWEQZHCLJHSS-IWQNTTPNSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
18
Fraction Csp3
0.51
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
1
Molar refractivity
182.12
TPSA
95.08
LogP / Solubility
WLOGP
4.97
MLOGP
4.43
XLogP3
4.8
Consensus LogP
4.73
Log S (ESOL)
-6.81
Class (ESOL)
Insoluble
Log S (Ali)
-8.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
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